N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide

C70H74F2N8O10S2 — CID 167624092

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
SMILESCN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(S(C)(=O)=O)cc4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(S(C)(=O)=O)cc4)cn3)CC2)cc1
InChIInChI=1S/2C35H37FN4O5S/c1-39(2)28-10-4-24(5-11-28)16-19-37-34(41)32-22-27(36)9-14-31(32)35(42)40-20-17-29(18-21-40)45-33-15-8-26(23-38-33)25-6-12-30(13-7-25)46(3,43)44;1-39(2)28-10-4-24(5-11-28)16-19-37-34(41)31-14-9-27(36)22-32(31)35(42)40-20-17-29(18-21-40)45-33-15-8-26(23-38-33)25-6-12-30(13-7-25)46(3,43)44/h2*4-15,22-23,29H,16-21H2,1-3H3,(H,37,41)
InChIKeyMVPBTVVPMGCTLX-UHFFFAOYSA-N
MW1289.54 g/mol
LogP10.03
Rot. Bonds20

About N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (PubChem CID 167624092) has the molecular formula C70H74F2N8O10S2 and a molecular weight of 1289.54 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
PubChem CID167624092
Molecular FormulaC70H74F2N8O10S2
Molecular Weight1289.54 g/mol
Exact Mass1288.49
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
SMILESCN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(S(C)(=O)=O)cc4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(S(C)(=O)=O)cc4)cn3)CC2)cc1
InChIInChI=1S/2C35H37FN4O5S/c1-39(2)28-10-4-24(5-11-28)16-19-37-34(41)32-22-27(36)9-14-31(32)35(42)40-20-17-29(18-21-40)45-33-15-8-26(23-38-33)25-6-12-30(13-7-25)46(3,43)44;1-39(2)28-10-4-24(5-11-28)16-19-37-34(41)31-14-9-27(36)22-32(31)35(42)40-20-17-29(18-21-40)45-33-15-8-26(23-38-33)25-6-12-30(13-7-25)46(3,43)44/h2*4-15,22-23,29H,16-21H2,1-3H3,(H,37,41)
InChIKeyMVPBTVVPMGCTLX-UHFFFAOYSA-N
XLogP10.03
TPSA217.82 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001289.54
LogP ≤ 510.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide with MolForge

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Related Compounds

N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide
CID 69031783
2-(Fluoromethyl)-5-[[[1-[[6-(4-methylsulfonylphenoxy)-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]benzamide
CID 90950406
N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-5-[2-[[[3-[[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]carbamoyl]phenyl]-methyl-oxo-lambda6-sulfanylidene]amino]ethoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130425579
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155798
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155808
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155823
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155828
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155840
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155841
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155845
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155849
N-[3-[4-(dimethylamino)phenyl]propyl]-2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorobenzamide
CID 156155853

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (CID 167624092) is N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(S(C)(=O)=O)cc4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(S(C)(=O)=O)cc4)cn3)CC2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The InChIKey is MVPBTVVPMGCTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H37FN4O5S/c1-39(2)28-10-4-24(5-11-28)16-19-37-34(41)32-22-27(36)9-14-31(32)35(42)40-20-17-29(18-21-40)45-33-15-8-26(23-38-33)25-6-12-30(13-7-25)46(3,43)44;1-39(2)28-10-4-24(5-11-28)16-19-37-34(41)31-14-9-27(36)22-32(31)35(42)40-20-17-29(18-21-40)45-33-15-8-26(23-38-33)25-6-12-30(13-7-25)46(3,43)44/h2*4-15,22-23,29H,16-21H2,1-3H3,(H,37,41).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide has a molecular weight of 1289.54 g/mol, XLogP of 10.03, 20 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 167624092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).