(3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid

C18H22ClNO4 — CID 99623082

IUPAC(3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC2CCCC2)C1
InChIInChI=1S/C18H22ClNO4/c19-13-7-8-16(24-14-5-1-2-6-14)15(10-13)17(21)20-9-3-4-12(11-20)18(22)23/h7-8,10,12,14H,1-6,9,11H2,(H,22,23)/t12-/m0/s1
InChIKeyJHCOIVMPOKHKDG-LBPRGKRZSA-N
MW351.83 g/mol
LogP3.60
Rot. Bonds4

About (3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid

(3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid (PubChem CID 99623082) has the molecular formula C18H22ClNO4 and a molecular weight of 351.83 g/mol. Its IUPAC name is (3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid
PubChem CID99623082
Molecular FormulaC18H22ClNO4
Molecular Weight351.83 g/mol
Exact Mass351.12
IUPAC Name(3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC2CCCC2)C1
InChIInChI=1S/C18H22ClNO4/c19-13-7-8-16(24-14-5-1-2-6-14)15(10-13)17(21)20-9-3-4-12(11-20)18(22)23/h7-8,10,12,14H,1-6,9,11H2,(H,22,23)/t12-/m0/s1
InChIKeyJHCOIVMPOKHKDG-LBPRGKRZSA-N
XLogP3.60
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid
CID 125118569
(3S)-1-[5-chloro-2-(2-methoxyethoxy)benzoyl]piperidine-3-carboxylic acid
CID 120684515
(3S)-1-(5-chloro-2-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119173685
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
(5-chloro-2-cyclopentyloxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119541982
1-[4-[4-chloro-2-(3-propoxypiperidine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
CID 45202036
(5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546509
(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 156560476
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 72873323
(5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625007
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-cyclopentyloxyphenyl)methanone;hydrochloride
CID 120814057

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid (CID 99623082) is (3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC2CCCC2)C1.
What is the InChIKey of (3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid?
The InChIKey is JHCOIVMPOKHKDG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22ClNO4/c19-13-7-8-16(24-14-5-1-2-6-14)15(10-13)17(21)20-9-3-4-12(11-20)18(22)23/h7-8,10,12,14H,1-6,9,11H2,(H,22,23)/t12-/m0/s1.
What are the key properties of (3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid?
(3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid has a molecular weight of 351.83 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 99623082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).