(3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone

C17H17ClN2O3 — CID 111332849

IUPAC(3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCCC(O)C1
InChIInChI=1S/C17H17ClN2O3/c18-15-10-12(17(22)20-9-1-2-13(21)11-20)3-4-16(15)23-14-5-7-19-8-6-14/h3-8,10,13,21H,1-2,9,11H2
InChIKeyTVPCNLRCEXPKOK-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.12
Rot. Bonds3

About (3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone

(3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 111332849) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is (3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID111332849
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name(3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCCC(O)C1
InChIInChI=1S/C17H17ClN2O3/c18-15-10-12(17(22)20-9-1-2-13(21)11-20)3-4-16(15)23-14-5-7-19-8-6-14/h3-8,10,13,21H,1-2,9,11H2
InChIKeyTVPCNLRCEXPKOK-UHFFFAOYSA-N
XLogP3.12
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)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

(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride
CID 119374896
(3-chloro-4-pyridin-4-yloxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023340
1-(3-chloro-4-pyridin-4-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 126769558
(3-chloro-4-pyridin-4-yloxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540458
(3-chloro-4-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224293
[4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 95623125
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122113159
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone (CID 111332849) is (3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone is O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCCC(O)C1.
What is the InChIKey of (3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is TVPCNLRCEXPKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-15-10-12(17(22)20-9-1-2-13(21)11-20)3-4-16(15)23-14-5-7-19-8-6-14/h3-8,10,13,21H,1-2,9,11H2.
What are the key properties of (3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone?
(3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 332.79 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 111332849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).