(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide

C25H30N4O3 — CID 34568694

IUPAC(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C25H30N4O3/c30-23(26-21-9-3-1-4-10-21)20-8-7-15-29(18-20)24(31)19-13-16-28(17-14-19)25(32)27-22-11-5-2-6-12-22/h1-6,9-12,19-20H,7-8,13-18H2,(H,26,30)(H,27,32)/t20-/m1/s1
InChIKeyDCVGFIRNEIHSPF-HXUWFJFHSA-N
MW434.54 g/mol
LogP3.81
Rot. Bonds4

About (3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide

(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide (PubChem CID 34568694) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is (3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
PubChem CID34568694
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C25H30N4O3/c30-23(26-21-9-3-1-4-10-21)20-8-7-15-29(18-20)24(31)19-13-16-28(17-14-19)25(32)27-22-11-5-2-6-12-22/h1-6,9-12,19-20H,7-8,13-18H2,(H,26,30)(H,27,32)/t20-/m1/s1
InChIKeyDCVGFIRNEIHSPF-HXUWFJFHSA-N
XLogP3.81
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
(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
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119411060
(3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 95156850
(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-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682

Frequently Asked Questions

What is the IUPAC name of (3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide (CID 34568694) is (3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide is O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1.
What is the InChIKey of (3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is DCVGFIRNEIHSPF-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-23(26-21-9-3-1-4-10-21)20-8-7-15-29(18-20)24(31)19-13-16-28(17-14-19)25(32)27-22-11-5-2-6-12-22/h1-6,9-12,19-20H,7-8,13-18H2,(H,26,30)(H,27,32)/t20-/m1/s1.
What are the key properties of (3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide?
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 34568694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).