(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide

C16H21BrN2O3 — CID 52512867

IUPAC(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(Br)cc1CNC(=O)[C@@H]1CCCN(C(C)=O)C1
InChIInChI=1S/C16H21BrN2O3/c1-11(20)19-7-3-4-12(10-19)16(21)18-9-13-8-14(17)5-6-15(13)22-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyCPLPRMXHSGXAQA-GFCCVEGCSA-N
MW369.26 g/mol
LogP2.33
Rot. Bonds4

About (3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide

(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 52512867) has the molecular formula C16H21BrN2O3 and a molecular weight of 369.26 g/mol. Its IUPAC name is (3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID52512867
Molecular FormulaC16H21BrN2O3
Molecular Weight369.26 g/mol
Exact Mass368.07
IUPAC Name(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(Br)cc1CNC(=O)[C@@H]1CCCN(C(C)=O)C1
InChIInChI=1S/C16H21BrN2O3/c1-11(20)19-7-3-4-12(10-19)16(21)18-9-13-8-14(17)5-6-15(13)22-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyCPLPRMXHSGXAQA-GFCCVEGCSA-N
XLogP2.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119480672
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771293
1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224255
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94029737
1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
CID 32858300
1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 110793478
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
azepan-1-yl-[(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 1293873
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46282574
(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 94434549
(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082337
N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 20952197

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 52512867) is (3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide is COc1ccc(Br)cc1CNC(=O)[C@@H]1CCCN(C(C)=O)C1.
What is the InChIKey of (3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is CPLPRMXHSGXAQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21BrN2O3/c1-11(20)19-7-3-4-12(10-19)16(21)18-9-13-8-14(17)5-6-15(13)22-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,18,21)/t12-/m1/s1.
What are the key properties of (3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 369.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 52512867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).