3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid

C15H18ClNO5 — CID 154846415

IUPAC3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC(C(O)CO)CC2)c(Cl)c1
InChIInChI=1S/C15H18ClNO5/c16-12-7-10(15(21)22)1-2-11(12)14(20)17-5-3-9(4-6-17)13(19)8-18/h1-2,7,9,13,18-19H,3-6,8H2,(H,21,22)
InChIKeyBKTMEBGBLDIKHZ-UHFFFAOYSA-N
MW327.76 g/mol
LogP1.24
Rot. Bonds4

About 3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid

3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid (PubChem CID 154846415) has the molecular formula C15H18ClNO5 and a molecular weight of 327.76 g/mol. Its IUPAC name is 3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid
PubChem CID154846415
Molecular FormulaC15H18ClNO5
Molecular Weight327.76 g/mol
Exact Mass327.09
IUPAC Name3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC(C(O)CO)CC2)c(Cl)c1
InChIInChI=1S/C15H18ClNO5/c16-12-7-10(15(21)22)1-2-11(12)14(20)17-5-3-9(4-6-17)13(19)8-18/h1-2,7,9,13,18-19H,3-6,8H2,(H,21,22)
InChIKeyBKTMEBGBLDIKHZ-UHFFFAOYSA-N
XLogP1.24
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid 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

N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide
CID 131893172
(4-chloro-1-methylpyrrol-2-yl)-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone
CID 137336230
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(4-bromo-2-chlorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627491
[4-(1,2-dihydroxyethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 138377727
(3-chloro-4-nitrophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835760
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 885823
(4-chloro-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835755
[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 24615468
(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348194

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid?
The IUPAC name of 3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid (CID 154846415) is 3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid.
What is the SMILES notation for 3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid?
The canonical SMILES for 3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid is O=C(O)c1ccc(C(=O)N2CCC(C(O)CO)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid?
The InChIKey is BKTMEBGBLDIKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO5/c16-12-7-10(15(21)22)1-2-11(12)14(20)17-5-3-9(4-6-17)13(19)8-18/h1-2,7,9,13,18-19H,3-6,8H2,(H,21,22).
What are the key properties of 3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid?
3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid has a molecular weight of 327.76 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-(1,2-dihydroxyethyl)piperidine-1-carbonyl]benzoic acid is sourced from PubChem (CID 154846415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).