1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide

C14H17ClN2O3 — CID 128964411

IUPAC1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(O)(C(N)=O)C2)ccc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-7-10(3-4-11(9)15)12(18)17-6-2-5-14(20,8-17)13(16)19/h3-4,7,20H,2,5-6,8H2,1H3,(H2,16,19)
InChIKeyGISUQGMTGOILNR-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.10
Rot. Bonds2

About 1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide

1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide (PubChem CID 128964411) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
PubChem CID128964411
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(O)(C(N)=O)C2)ccc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-7-10(3-4-11(9)15)12(18)17-6-2-5-14(20,8-17)13(16)19/h3-4,7,20H,2,5-6,8H2,1H3,(H2,16,19)
InChIKeyGISUQGMTGOILNR-UHFFFAOYSA-N
XLogP1.10
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964687
(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129491751
3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 128964564
(3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide
CID 100651742
(3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 100652020
(4-chloro-3-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 86781380
(3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129353762
1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128964613
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701234
(3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 129485786
(3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129485552
1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128988885

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide (CID 128964411) is 1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide is Cc1cc(C(=O)N2CCCC(O)(C(N)=O)C2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
The InChIKey is GISUQGMTGOILNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-7-10(3-4-11(9)15)12(18)17-6-2-5-14(20,8-17)13(16)19/h3-4,7,20H,2,5-6,8H2,1H3,(H2,16,19).
What are the key properties of 1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide has a molecular weight of 296.75 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 128964411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).