[2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone

C20H30N2O2 — CID 71855541

IUPAC[2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1NCCCC1CCCC1)N1CCCC(O)C1
InChIInChI=1S/C20H30N2O2/c23-17-10-6-14-22(15-17)20(24)18-11-3-4-12-19(18)21-13-5-9-16-7-1-2-8-16/h3-4,11-12,16-17,21,23H,1-2,5-10,13-15H2
InChIKeyYGOVNDVDFZAPEW-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.67
Rot. Bonds6

About [2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone

[2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 71855541) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is [2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID71855541
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name[2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1NCCCC1CCCC1)N1CCCC(O)C1
InChIInChI=1S/C20H30N2O2/c23-17-10-6-14-22(15-17)20(24)18-11-3-4-12-19(18)21-13-5-9-16-7-1-2-8-16/h3-4,11-12,16-17,21,23H,1-2,5-10,13-15H2
InChIKeyYGOVNDVDFZAPEW-UHFFFAOYSA-N
XLogP3.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone
CID 111753525
[(3R)-3-hydroxypiperidin-1-yl]-[2-[2-[(2S)-oxolan-2-yl]ethylamino]phenyl]methanone
CID 99828541
[2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110900298
(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107682
[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 60536898
N-(2-chlorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536747
(3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone
CID 154736364
N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536696
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
2-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51957235
1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one
CID 84594683
7-[[2-(3-hydroxypiperidine-1-carbonyl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60536669

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone (CID 71855541) is [2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone is O=C(c1ccccc1NCCCC1CCCC1)N1CCCC(O)C1.
What is the InChIKey of [2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is YGOVNDVDFZAPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-17-10-6-14-22(15-17)20(24)18-11-3-4-12-19(18)21-13-5-9-16-7-1-2-8-16/h3-4,11-12,16-17,21,23H,1-2,5-10,13-15H2.
What are the key properties of [2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
[2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 330.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 71855541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).