2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide

C110H123F3N14O10 — CID 167635549

IUPAC2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide
SMILESCN(C)CCOc1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1.CN(C)c1ccc(CCCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.Cc1ccccc1CCC(=O)Nc1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1
InChIInChI=1S/C38H44FN5O4.C37H42FN5O3.C35H37FN4O3/c1-42(2)23-24-47-32-13-7-28(8-14-32)29-9-16-36(41-26-29)48-33-18-21-44(22-19-33)38(46)34-15-10-30(39)25-35(34)37(45)40-20-17-27-5-11-31(12-6-27)43(3)4;1-41(2)30-13-7-26(8-14-30)6-5-21-39-36(44)33-17-12-29(38)24-34(33)37(45)43-22-19-32(20-23-43)46-35-18-11-28(25-40-35)27-9-15-31(16-10-27)42(3)4;1-24-6-4-5-7-25(24)10-16-33(41)38-32-15-12-28(36)22-31(32)35(42)40-20-18-30(19-21-40)43-34-17-11-27(23-37-34)26-8-13-29(14-9-26)39(2)3/h5-16,25-26,33H,17-24H2,1-4H3,(H,40,45);7-18,24-25,32H,5-6,19-23H2,1-4H3,(H,39,44);4-9,11-15,17,22-23,30H,10,16,18-21H2,1-3H3,(H,38,41)
InChIKeyOKRRRRQCTJZUGS-UHFFFAOYSA-N
MW1858.28 g/mol
LogP18.13
Rot. Bonds33

About 2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide

2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide (PubChem CID 167635549) has the molecular formula C110H123F3N14O10 and a molecular weight of 1858.28 g/mol. Its IUPAC name is 2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide
PubChem CID167635549
Molecular FormulaC110H123F3N14O10
Molecular Weight1858.28 g/mol
Exact Mass1856.95
IUPAC Name2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide
SMILESCN(C)CCOc1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1.CN(C)c1ccc(CCCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.Cc1ccccc1CCC(=O)Nc1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1
InChIInChI=1S/C38H44FN5O4.C37H42FN5O3.C35H37FN4O3/c1-42(2)23-24-47-32-13-7-28(8-14-32)29-9-16-36(41-26-29)48-33-18-21-44(22-19-33)38(46)34-15-10-30(39)25-35(34)37(45)40-20-17-27-5-11-31(12-6-27)43(3)4;1-41(2)30-13-7-26(8-14-30)6-5-21-39-36(44)33-17-12-29(38)24-34(33)37(45)43-22-19-32(20-23-43)46-35-18-11-28(25-40-35)27-9-15-31(16-10-27)42(3)4;1-24-6-4-5-7-25(24)10-16-33(41)38-32-15-12-28(36)22-31(32)35(42)40-20-18-30(19-21-40)43-34-17-11-27(23-37-34)26-8-13-29(14-9-26)39(2)3/h5-16,25-26,33H,17-24H2,1-4H3,(H,40,45);7-18,24-25,32H,5-6,19-23H2,1-4H3,(H,39,44);4-9,11-15,17,22-23,30H,10,16,18-21H2,1-3H3,(H,38,41)
InChIKeyOKRRRRQCTJZUGS-UHFFFAOYSA-N
XLogP18.13
TPSA240.02 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds33
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001858.28
LogP ≤ 518.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide with MolForge

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(3-methylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 167638035
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide
CID 167543187
ethyl 4-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate
CID 167599810
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)propanamide
CID 110627058
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-(1H-indol-3-yl)propanamide;4-(4-fluorophenoxy)piperidine-1-carboxamide
CID 142898590
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739805
N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide
CID 24589340
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 18094863
4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 115745181
4-(2-aminoethyl)-N,N-dimethylaniline;(Z)-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(E)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enoic acid;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;furan-2,5-dione
CID 167604999
3-acetyl-7-[4-[3-(2,5-difluorophenoxy)propyl]phenyl]-N-[2-(2-methylphenyl)ethyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
CID 142670187
N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892001

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide?
The IUPAC name of 2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide (CID 167635549) is 2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for 2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide is CN(C)CCOc1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1.CN(C)c1ccc(CCCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.Cc1ccccc1CCC(=O)Nc1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1.
What is the InChIKey of 2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide?
The InChIKey is OKRRRRQCTJZUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44FN5O4.C37H42FN5O3.C35H37FN4O3/c1-42(2)23-24-47-32-13-7-28(8-14-32)29-9-16-36(41-26-29)48-33-18-21-44(22-19-33)38(46)34-15-10-30(39)25-35(34)37(45)40-20-17-27-5-11-31(12-6-27)43(3)4;1-41(2)30-13-7-26(8-14-30)6-5-21-39-36(44)33-17-12-29(38)24-34(33)37(45)43-22-19-32(20-23-43)46-35-18-11-28(25-40-35)27-9-15-31(16-10-27)42(3)4;1-24-6-4-5-7-25(24)10-16-33(41)38-32-15-12-28(36)22-31(32)35(42)40-20-18-30(19-21-40)43-34-17-11-27(23-37-34)26-8-13-29(14-9-26)39(2)3/h5-16,25-26,33H,17-24H2,1-4H3,(H,40,45);7-18,24-25,32H,5-6,19-23H2,1-4H3,(H,39,44);4-9,11-15,17,22-23,30H,10,16,18-21H2,1-3H3,(H,38,41).
What are the key properties of 2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide?
2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide has a molecular weight of 1858.28 g/mol, XLogP of 18.13, 33 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluorobenzamide;N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide;N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 167635549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).