3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide

C27H29N3O2 — CID 56523677

IUPAC3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29N3O2/c1-27(22-13-5-2-6-14-22,23-15-7-3-8-16-23)29-25(31)21-12-11-19-30(20-21)26(32)28-24-17-9-4-10-18-24/h2-10,13-18,21H,11-12,19-20H2,1H3,(H,28,32)(H,29,31)
InChIKeyXFDFVVHWHQSZHK-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.01
Rot. Bonds5

About 3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 56523677) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID56523677
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29N3O2/c1-27(22-13-5-2-6-14-22,23-15-7-3-8-16-23)29-25(31)21-12-11-19-30(20-21)26(32)28-24-17-9-4-10-18-24/h2-10,13-18,21H,11-12,19-20H2,1H3,(H,28,32)(H,29,31)
InChIKeyXFDFVVHWHQSZHK-UHFFFAOYSA-N
XLogP5.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119191915
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55978635
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide (CID 56523677) is 3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide is CC(NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is XFDFVVHWHQSZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-27(22-13-5-2-6-14-22,23-15-7-3-8-16-23)29-25(31)21-12-11-19-30(20-21)26(32)28-24-17-9-4-10-18-24/h2-10,13-18,21H,11-12,19-20H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 427.55 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 56523677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).