(3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide

C14H17BrN2O3 — CID 100652020

IUPAC(3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1cc(Br)cc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c1
InChIInChI=1S/C14H17BrN2O3/c1-9-5-10(7-11(15)6-9)12(18)17-4-2-3-14(20,8-17)13(16)19/h5-7,20H,2-4,8H2,1H3,(H2,16,19)/t14-/m0/s1
InChIKeyHRHCZTDXXXKTQJ-AWEZNQCLSA-N
MW341.21 g/mol
LogP1.21
Rot. Bonds2

About (3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide

(3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide (PubChem CID 100652020) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is (3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
PubChem CID100652020
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name(3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
SMILESCc1cc(Br)cc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c1
InChIInChI=1S/C14H17BrN2O3/c1-9-5-10(7-11(15)6-9)12(18)17-4-2-3-14(20,8-17)13(16)19/h5-7,20H,2-4,8H2,1H3,(H2,16,19)/t14-/m0/s1
InChIKeyHRHCZTDXXXKTQJ-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

(3-bromo-5-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113463392
3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 128964564
(3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129353762
1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964411
1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128964558
(3-bromo-5-methylphenyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 99631542
(3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide
CID 100651991
(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129491751
1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide
CID 104851796
(3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide
CID 100651742
(3S)-3-hydroxy-1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide
CID 129485829
1-(4-chloro-2-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964687

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide (CID 100652020) is (3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide is Cc1cc(Br)cc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c1.
What is the InChIKey of (3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
The InChIKey is HRHCZTDXXXKTQJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-9-5-10(7-11(15)6-9)12(18)17-4-2-3-14(20,8-17)13(16)19/h5-7,20H,2-4,8H2,1H3,(H2,16,19)/t14-/m0/s1.
What are the key properties of (3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide?
(3S)-1-(3-bromo-5-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-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 100652020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).