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

C14H19BrN2O2 — CID 27267231

IUPAC(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(Br)cc1CN1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C14H19BrN2O2/c1-19-13-5-4-12(15)7-11(13)9-17-6-2-3-10(8-17)14(16)18/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,16,18)/t10-/m1/s1
InChIKeyKKQUFHWBMHAPEM-SNVBAGLBSA-N
MW327.22 g/mol
LogP2.15
Rot. Bonds4

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

(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 27267231) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID27267231
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(Br)cc1CN1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C14H19BrN2O2/c1-19-13-5-4-12(15)7-11(13)9-17-6-2-3-10(8-17)14(16)18/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,16,18)/t10-/m1/s1
InChIKeyKKQUFHWBMHAPEM-SNVBAGLBSA-N
XLogP2.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 1293873
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 43226156
(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 1067982
1-[(2-amino-4-bromophenyl)methyl]piperidine-3-carboxamide
CID 114380375
1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119909997
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
(3S)-1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 783278
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine
CID 60670302
2-[(5-bromo-2-methoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78950366

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 27267231) is (3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide is COc1ccc(Br)cc1CN1CCC[C@@H](C(N)=O)C1.
What is the InChIKey of (3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is KKQUFHWBMHAPEM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-19-13-5-4-12(15)7-11(13)9-17-6-2-3-10(8-17)14(16)18/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,16,18)/t10-/m1/s1.
What are the key properties of (3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 27267231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).