1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide

C27H27F2N3O4 — CID 42868527

IUPAC1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CCC(c3ccccc3)N(C(=O)Nc3ccc(F)cc3F)C2)c(OC)c1
InChIInChI=1S/C27H27F2N3O4/c1-35-20-10-12-23(25(15-20)36-2)30-26(33)18-8-13-24(17-6-4-3-5-7-17)32(16-18)27(34)31-22-11-9-19(28)14-21(22)29/h3-7,9-12,14-15,18,24H,8,13,16H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyHIUVUBJWRAVJQW-UHFFFAOYSA-N
MW495.53 g/mol
LogP5.61
Rot. Bonds6

About 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide

1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide (PubChem CID 42868527) 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)-6-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide
PubChem CID42868527
Molecular FormulaC27H27F2N3O4
Molecular Weight495.53 g/mol
Exact Mass495.20
IUPAC Name1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CCC(c3ccccc3)N(C(=O)Nc3ccc(F)cc3F)C2)c(OC)c1
InChIInChI=1S/C27H27F2N3O4/c1-35-20-10-12-23(25(15-20)36-2)30-26(33)18-8-13-24(17-6-4-3-5-7-17)32(16-18)27(34)31-22-11-9-19(28)14-21(22)29/h3-7,9-12,14-15,18,24H,8,13,16H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyHIUVUBJWRAVJQW-UHFFFAOYSA-N
XLogP5.61
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 ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide with MolForge

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Related Compounds

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-[4-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 44532121
N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide
CID 44590340
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide
CID 44590341
2-(N-acetyl-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide
CID 44590403
1-(2,4-Dimethoxyphenyl)-3-(diphenylmethyl)urea
CID 24819711
N-benzyl-N'-(2,4-dimethoxyphenyl)-3-methylpentanediamide
CID 3900079
N-(2,4-dimethoxyphenyl)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 24818438

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide (CID 42868527) is 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide is COc1ccc(NC(=O)C2CCC(c3ccccc3)N(C(=O)Nc3ccc(F)cc3F)C2)c(OC)c1.
What is the InChIKey of 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is HIUVUBJWRAVJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N3O4/c1-35-20-10-12-23(25(15-20)36-2)30-26(33)18-8-13-24(17-6-4-3-5-7-17)32(16-18)27(34)31-22-11-9-19(28)14-21(22)29/h3-7,9-12,14-15,18,24H,8,13,16H2,1-2H3,(H,30,33)(H,31,34).
What are the key properties of 1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide?
1-N-(2,4-difluorophenyl)-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 495.53 g/mol, XLogP of 5.61, 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)-6-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 42868527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).