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

C74H80F2N10O8 — CID 167543187

IUPACN-[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
SMILESCN(C)C(=O)c1ccc(-c2ccc(OC3CCN(C(=O)c4cc(F)ccc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1.CN(C)C(=O)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1
InChIInChI=1S/2C37H40FN5O4/c1-41(2)30-13-5-25(6-14-30)17-20-39-35(44)33-23-29(38)12-15-32(33)37(46)43-21-18-31(19-22-43)47-34-16-11-28(24-40-34)26-7-9-27(10-8-26)36(45)42(3)4;1-41(2)30-13-5-25(6-14-30)17-20-39-35(44)32-15-12-29(38)23-33(32)37(46)43-21-18-31(19-22-43)47-34-16-11-28(24-40-34)26-7-9-27(10-8-26)36(45)42(3)4/h2*5-16,23-24,31H,17-22H2,1-4H3,(H,39,44)
InChIKeyBLOOWLGPKFANSQ-UHFFFAOYSA-N
MW1275.51 g/mol
LogP10.62
Rot. Bonds20

About 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

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 (PubChem CID 167543187) has the molecular formula C74H80F2N10O8 and a molecular weight of 1275.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID167543187
Molecular FormulaC74H80F2N10O8
Molecular Weight1275.51 g/mol
Exact Mass1274.61
IUPAC NameN-[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
SMILESCN(C)C(=O)c1ccc(-c2ccc(OC3CCN(C(=O)c4cc(F)ccc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1.CN(C)C(=O)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1
InChIInChI=1S/2C37H40FN5O4/c1-41(2)30-13-5-25(6-14-30)17-20-39-35(44)33-23-29(38)12-15-32(33)37(46)43-21-18-31(19-22-43)47-34-16-11-28(24-40-34)26-7-9-27(10-8-26)36(45)42(3)4;1-41(2)30-13-5-25(6-14-30)17-20-39-35(44)32-15-12-29(38)23-33(32)37(46)43-21-18-31(19-22-43)47-34-16-11-28(24-40-34)26-7-9-27(10-8-26)36(45)42(3)4/h2*5-16,23-24,31H,17-22H2,1-4H3,(H,39,44)
InChIKeyBLOOWLGPKFANSQ-UHFFFAOYSA-N
XLogP10.62
TPSA190.16 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001275.51
LogP ≤ 510.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 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
ethyl 4-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate
CID 167599810
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
1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone
CID 167705361
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
N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide
CID 126824333
N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide
CID 167537230
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
N,N-dimethyl-6-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyridine-3-carboxamide
CID 126824330
4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120512957
6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 126830936
1-(2,4-difluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 51317056

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C(=O)c1ccc(-c2ccc(OC3CCN(C(=O)c4cc(F)ccc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1.CN(C)C(=O)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1.
What is the InChIKey of 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?
The InChIKey is BLOOWLGPKFANSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H40FN5O4/c1-41(2)30-13-5-25(6-14-30)17-20-39-35(44)33-23-29(38)12-15-32(33)37(46)43-21-18-31(19-22-43)47-34-16-11-28(24-40-34)26-7-9-27(10-8-26)36(45)42(3)4;1-41(2)30-13-5-25(6-14-30)17-20-39-35(44)32-15-12-29(38)23-33(32)37(46)43-21-18-31(19-22-43)47-34-16-11-28(24-40-34)26-7-9-27(10-8-26)36(45)42(3)4/h2*5-16,23-24,31H,17-22H2,1-4H3,(H,39,44).
What are the key properties of 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?
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 has a molecular weight of 1275.51 g/mol, XLogP of 10.62, 20 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167543187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).