(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide

C25H31N5O3 — CID 95116250

IUPAC(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)NC3CCCC3)C2)cc1
InChIInChI=1S/C25H31N5O3/c31-23(26-19-10-4-5-11-19)18-7-6-16-30(17-18)25(33)29-22-14-12-21(13-15-22)28-24(32)27-20-8-2-1-3-9-20/h1-3,8-9,12-15,18-19H,4-7,10-11,16-17H2,(H,26,31)(H,29,33)(H2,27,28,32)/t18-/m0/s1
InChIKeyQJCJDJRILANXDJ-SFHVURJKSA-N
MW449.56 g/mol
LogP4.63
Rot. Bonds5

About (3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide

(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 95116250) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is (3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
PubChem CID95116250
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)NC3CCCC3)C2)cc1
InChIInChI=1S/C25H31N5O3/c31-23(26-19-10-4-5-11-19)18-7-6-16-30(17-18)25(33)29-22-14-12-21(13-15-22)28-24(32)27-20-8-2-1-3-9-20/h1-3,8-9,12-15,18-19H,4-7,10-11,16-17H2,(H,26,31)(H,29,33)(H2,27,28,32)/t18-/m0/s1
InChIKeyQJCJDJRILANXDJ-SFHVURJKSA-N
XLogP4.63
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55561482
(3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900292
(3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116293
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 32829511
3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55489108
(3R)-1-N-[4-(phenylcarbamoylamino)phenyl]-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 92900274
N-cyclopropyl-1-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45220733
3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
(3R)-3-N-cyclohexyl-1-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 95154562
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide (CID 95116250) is (3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide is O=C(Nc1ccccc1)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)NC3CCCC3)C2)cc1.
What is the InChIKey of (3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is QJCJDJRILANXDJ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H31N5O3/c31-23(26-19-10-4-5-11-19)18-7-6-16-30(17-18)25(33)29-22-14-12-21(13-15-22)28-24(32)27-20-8-2-1-3-9-20/h1-3,8-9,12-15,18-19H,4-7,10-11,16-17H2,(H,26,31)(H,29,33)(H2,27,28,32)/t18-/m0/s1.
What are the key properties of (3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 449.56 g/mol, XLogP of 4.63, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95116250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).