1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide

C27H27F2N3O4 — CID 42868453

IUPAC1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccccc3)CN(C(=O)Nc3ccc(F)cc3F)C2)c(OC)c1
InChIInChI=1S/C27H27F2N3O4/c1-35-21-9-11-24(25(14-21)36-2)30-26(33)19-12-18(17-6-4-3-5-7-17)15-32(16-19)27(34)31-23-10-8-20(28)13-22(23)29/h3-11,13-14,18-19H,12,15-16H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyHQWCUGLZNFHKDR-UHFFFAOYSA-N
MW495.53 g/mol
LogP5.26
Rot. Bonds6

About 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide

1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide (PubChem CID 42868453) has the molecular formula C27H27F2N3O4 and a molecular weight of 495.53 g/mol. Its IUPAC name is 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide
PubChem CID42868453
Molecular FormulaC27H27F2N3O4
Molecular Weight495.53 g/mol
Exact Mass495.20
IUPAC Name1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccccc3)CN(C(=O)Nc3ccc(F)cc3F)C2)c(OC)c1
InChIInChI=1S/C27H27F2N3O4/c1-35-21-9-11-24(25(14-21)36-2)30-26(33)19-12-18(17-6-4-3-5-7-17)15-32(16-19)27(34)31-23-10-8-20(28)13-22(23)29/h3-11,13-14,18-19H,12,15-16H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyHQWCUGLZNFHKDR-UHFFFAOYSA-N
XLogP5.26
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.53
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Piperidine-1,3-dicarboxylic acid 1-benzylamide 3-[(2-methoxy-phenyl)-amide]
CID 24761950
N-(2,4-Dimethoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
CID 4988046
3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide
CID 2901762
1-(1-Benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea
CID 6465840
N-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497513
N-(4-{2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
CID 16026089
N-(2,4-Dimethoxy-phenyl)-2-[4-(4-fluoro-benzoyl)-piperidin-1-yl]-acetamide
CID 24762137
N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide
CID 44590340
2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide
CID 44590403
(4S,5S)-5-(aminomethyl)-4-(2,5-difluorophenyl)-1-(4-methoxyphenyl)piperidin-2-one
CID 90654718
1-(2,4-Dimethoxyphenyl)-3-(diphenylmethyl)urea
CID 24819711
N-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide
CID 3900079

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide (CID 42868453) is 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide is COc1ccc(NC(=O)C2CC(c3ccccc3)CN(C(=O)Nc3ccc(F)cc3F)C2)c(OC)c1.
What is the InChIKey of 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is HQWCUGLZNFHKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N3O4/c1-35-21-9-11-24(25(14-21)36-2)30-26(33)19-12-18(17-6-4-3-5-7-17)15-32(16-19)27(34)31-23-10-8-20(28)13-22(23)29/h3-11,13-14,18-19H,12,15-16H2,1-2H3,(H,30,33)(H,31,34).
What are the key properties of 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide?
1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 495.53 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-5-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 42868453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).