1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide

C21H31N3O3 — CID 136516183

IUPAC1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide
SMILESCC(Cc1ccc(O)cc1)NC(=O)C1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C21H31N3O3/c1-15(13-16-8-10-19(25)11-9-16)22-20(26)17-5-4-12-24(14-17)21(27)23-18-6-2-3-7-18/h8-11,15,17-18,25H,2-7,12-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyBGHWZBWHMFRZOA-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.80
Rot. Bonds5

About 1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide

1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide (PubChem CID 136516183) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide
PubChem CID136516183
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide
SMILESCC(Cc1ccc(O)cc1)NC(=O)C1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C21H31N3O3/c1-15(13-16-8-10-19(25)11-9-16)22-20(26)17-5-4-12-24(14-17)21(27)23-18-6-2-3-7-18/h8-11,15,17-18,25H,2-7,12-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyBGHWZBWHMFRZOA-UHFFFAOYSA-N
XLogP2.80
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119366391
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 154739654
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797
1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119449955
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336
4-[[[3-(pentan-2-ylcarbamoyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019649
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
1-N-cyclopentyl-3-N-[2-(methylamino)ethyl]piperidine-1,3-dicarboxamide
CID 119500364
N-[1-(4-hydroxyphenyl)propan-2-yl]oxolane-3-carboxamide
CID 75384504
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide (CID 136516183) is 1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide is CC(Cc1ccc(O)cc1)NC(=O)C1CCCN(C(=O)NC2CCCC2)C1.
What is the InChIKey of 1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide?
The InChIKey is BGHWZBWHMFRZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15(13-16-8-10-19(25)11-9-16)22-20(26)17-5-4-12-24(14-17)21(27)23-18-6-2-3-7-18/h8-11,15,17-18,25H,2-7,12-14H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide?
1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 136516183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).