(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide

C13H17BrN2O — CID 81141738

IUPAC(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Br)[C@H]1CCCNC1
InChIInChI=1S/C13H17BrN2O/c14-12-6-2-1-4-10(12)9-16-13(17)11-5-3-7-15-8-11/h1-2,4,6,11,15H,3,5,7-9H2,(H,16,17)/t11-/m0/s1
InChIKeyIFBYXCLFIPSSNZ-NSHDSACASA-N
MW297.20 g/mol
LogP2.06
Rot. Bonds3

About (3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide

(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide (PubChem CID 81141738) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is (3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
PubChem CID81141738
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Br)[C@H]1CCCNC1
InChIInChI=1S/C13H17BrN2O/c14-12-6-2-1-4-10(12)9-16-13(17)11-5-3-7-15-8-11/h1-2,4,6,11,15H,3,5,7-9H2,(H,16,17)/t11-/m0/s1
InChIKeyIFBYXCLFIPSSNZ-NSHDSACASA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119279719
N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770651
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429
N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide
CID 119301276
(3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81134006
N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 126623972
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848767
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
(3S)-N-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81129935

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide (CID 81141738) is (3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccccc1Br)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is IFBYXCLFIPSSNZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-12-6-2-1-4-10(12)9-16-13(17)11-5-3-7-15-8-11/h1-2,4,6,11,15H,3,5,7-9H2,(H,16,17)/t11-/m0/s1.
What are the key properties of (3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide?
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 81141738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).