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

C21H26N2O2 — CID 111753525

IUPAC(3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCCCc1ccccc1)N1CCCC(O)C1
InChIInChI=1S/C21H26N2O2/c24-18-11-7-15-23(16-18)21(25)19-12-4-5-13-20(19)22-14-6-10-17-8-2-1-3-9-17/h1-5,8-9,12-13,18,22,24H,6-7,10-11,14-16H2
InChIKeyLKISWKJWAYZOMS-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.33
Rot. Bonds6

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

(3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone (PubChem CID 111753525) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone
PubChem CID111753525
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCCCc1ccccc1)N1CCCC(O)C1
InChIInChI=1S/C21H26N2O2/c24-18-11-7-15-23(16-18)21(25)19-12-4-5-13-20(19)22-14-6-10-17-8-2-1-3-9-17/h1-5,8-9,12-13,18,22,24H,6-7,10-11,14-16H2
InChIKeyLKISWKJWAYZOMS-UHFFFAOYSA-N
XLogP3.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 71855541
[(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
(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082332
(3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone
CID 154736364
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536696
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

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone (CID 111753525) is (3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone is O=C(c1ccccc1NCCCc1ccccc1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone?
The InChIKey is LKISWKJWAYZOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-18-11-7-15-23(16-18)21(25)19-12-4-5-13-20(19)22-14-6-10-17-8-2-1-3-9-17/h1-5,8-9,12-13,18,22,24H,6-7,10-11,14-16H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone?
(3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone has a molecular weight of 338.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone is sourced from PubChem (CID 111753525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).