(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide

C14H17BrN2O3 — CID 129486382

IUPAC(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(C(=O)Cc2cccc(Br)c2)C1
InChIInChI=1S/C14H17BrN2O3/c15-11-4-1-3-10(7-11)8-12(18)17-6-2-5-14(20,9-17)13(16)19/h1,3-4,7,20H,2,5-6,8-9H2,(H2,16,19)/t14-/m0/s1
InChIKeyZQCCKZALMDEZDS-AWEZNQCLSA-N
MW341.21 g/mol
LogP0.83
Rot. Bonds3

About (3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide

(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 129486382) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is (3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID129486382
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(C(=O)Cc2cccc(Br)c2)C1
InChIInChI=1S/C14H17BrN2O3/c15-11-4-1-3-10(7-11)8-12(18)17-6-2-5-14(20,9-17)13(16)19/h1,3-4,7,20H,2,5-6,8-9H2,(H2,16,19)/t14-/m0/s1
InChIKeyZQCCKZALMDEZDS-AWEZNQCLSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(3-fluorophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485444
3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide
CID 128988937
1-[2-(3-bromophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134622
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229
1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 128964748
1-[2-(3-bromophenyl)acetyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63146140
(3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide
CID 100651991
1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 128988914
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(3-bromophenyl)ethanone
CID 95357592
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(3-bromophenyl)ethanone
CID 95357594
1-(4-benzylpiperazin-1-yl)-2-(3-bromophenyl)ethanone
CID 100698276
2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 113076678

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide (CID 129486382) is (3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide is NC(=O)[C@]1(O)CCCN(C(=O)Cc2cccc(Br)c2)C1.
What is the InChIKey of (3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is ZQCCKZALMDEZDS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-11-4-1-3-10(7-11)8-12(18)17-6-2-5-14(20,9-17)13(16)19/h1,3-4,7,20H,2,5-6,8-9H2,(H2,16,19)/t14-/m0/s1.
What are the key properties of (3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide?
(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129486382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).