(3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide

C14H17BrN2O3 — CID 129353762

IUPAC(3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c(Br)c1
InChIInChI=1S/C14H17BrN2O3/c1-9-3-4-10(11(15)7-9)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)/t14-/m0/s1
InChIKeyNSLPOHYFQJHQAT-AWEZNQCLSA-N
MW341.21 g/mol
LogP1.21
Rot. Bonds2

About (3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide

(3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide (PubChem CID 129353762) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is (3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
PubChem CID129353762
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name(3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c(Br)c1
InChIInChI=1S/C14H17BrN2O3/c1-9-3-4-10(11(15)7-9)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)/t14-/m0/s1
InChIKeyNSLPOHYFQJHQAT-AWEZNQCLSA-N
XLogP1.21
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.21
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
(3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 100652020
(2-bromo-4-methylphenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849898
(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129491751
(3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129485552
3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 128964564
(2-bromo-4-methylphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 113337887
1-(2-bromo-4-methylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162495
1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964411
1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128988899
1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128964558
1-(2-ethylfuran-3-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128964618

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide (CID 129353762) is (3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide is Cc1ccc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c(Br)c1.
What is the InChIKey of (3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
The InChIKey is NSLPOHYFQJHQAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-9-3-4-10(11(15)7-9)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)/t14-/m0/s1.
What are the key properties of (3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
(3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129353762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).