1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid

C14H16ClNO4 — CID 120528177

IUPAC1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1cc(Cl)cc(C(=O)N2CCC(O)(C(=O)O)CC2)c1
InChIInChI=1S/C14H16ClNO4/c1-9-6-10(8-11(15)7-9)12(17)16-4-2-14(20,3-5-16)13(18)19/h6-8,20H,2-5H2,1H3,(H,18,19)
InChIKeyIZEKIUYAMKCNHM-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.70
Rot. Bonds2

About 1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid

1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 120528177) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID120528177
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1cc(Cl)cc(C(=O)N2CCC(O)(C(=O)O)CC2)c1
InChIInChI=1S/C14H16ClNO4/c1-9-6-10(8-11(15)7-9)12(17)16-4-2-14(20,3-5-16)13(18)19/h6-8,20H,2-5H2,1H3,(H,18,19)
InChIKeyIZEKIUYAMKCNHM-UHFFFAOYSA-N
XLogP1.70
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406073
4-hydroxy-1-(3-methyl-5-nitrobenzoyl)piperidine-4-carboxylic acid
CID 120687960
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452
(3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 81323896
1-(3-chloro-5-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162389
1-(3,5-dimethylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123254
(4-bromopiperidin-1-yl)-(3-chloro-5-methylphenyl)methanone
CID 81324253
4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid
CID 139013318
1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250905
[4-(2-bromoethyl)piperazin-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 81324659
1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251616
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495911

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid (CID 120528177) is 1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid is Cc1cc(Cl)cc(C(=O)N2CCC(O)(C(=O)O)CC2)c1.
What is the InChIKey of 1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is IZEKIUYAMKCNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-9-6-10(8-11(15)7-9)12(17)16-4-2-14(20,3-5-16)13(18)19/h6-8,20H,2-5H2,1H3,(H,18,19).
What are the key properties of 1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 120528177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).