(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide

C16H21BrN2O — CID 81128811

IUPAC(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C([C@@H]1CCCNC1)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C16H21BrN2O/c17-15-6-2-1-4-13(15)11-19(14-7-8-14)16(20)12-5-3-9-18-10-12/h1-2,4,6,12,14,18H,3,5,7-11H2/t12-/m1/s1
InChIKeyVRDWYGVZBIZLBV-GFCCVEGCSA-N
MW337.26 g/mol
LogP2.94
Rot. Bonds4

About (3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide

(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 81128811) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is (3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID81128811
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C([C@@H]1CCCNC1)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C16H21BrN2O/c17-15-6-2-1-4-13(15)11-19(14-7-8-14)16(20)12-5-3-9-18-10-12/h1-2,4,6,12,14,18H,3,5,7-11H2/t12-/m1/s1
InChIKeyVRDWYGVZBIZLBV-GFCCVEGCSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
CID 107067691
N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
CID 119284886
(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 81129166
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 54872044
(3R)-N-cyclopropyl-N-[[3-(2-methoxyethyl)naphthalen-1-yl]methyl]piperidine-3-carboxamide
CID 70952975
N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-3-carboxamide
CID 63130915
(3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 70953010

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide (CID 81128811) is (3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide is O=C([C@@H]1CCCNC1)N(Cc1ccccc1Br)C1CC1.
What is the InChIKey of (3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is VRDWYGVZBIZLBV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21BrN2O/c17-15-6-2-1-4-13(15)11-19(14-7-8-14)16(20)12-5-3-9-18-10-12/h1-2,4,6,12,14,18H,3,5,7-11H2/t12-/m1/s1.
What are the key properties of (3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide?
(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 337.26 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 81128811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).