N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide

C17H23BrN2O — CID 107067691

IUPACN-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C17H23BrN2O/c1-12-5-4-10-19-16(12)17(21)20(14-8-9-14)11-13-6-2-3-7-15(13)18/h2-3,6-7,12,14,16,19H,4-5,8-11H2,1H3
InChIKeyRVCZLAJZURHMFZ-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.33
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide

N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide (PubChem CID 107067691) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
PubChem CID107067691
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC NameN-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C17H23BrN2O/c1-12-5-4-10-19-16(12)17(21)20(14-8-9-14)11-13-6-2-3-7-15(13)18/h2-3,6-7,12,14,16,19H,4-5,8-11H2,1H3
InChIKeyRVCZLAJZURHMFZ-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 81128811
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
CID 107067678
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
N,N-dibenzyl-3-methylpiperidine-2-carboxamide
CID 130158118
N-cyclopropyl-N-ethyl-3-methylpiperidine-2-carboxamide
CID 107067196
N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
CID 60756148
N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide
CID 79201119
N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-3-carboxamide
CID 63130915
N-cyclohexyl-N-(2-hydroxyethyl)-3-methylpiperidine-2-carboxamide
CID 55060417
4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide
CID 60938975
4-[(2-bromophenyl)methyl-cyclopropylamino]-4-oxobutanoic acid
CID 54875215
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
CID 60630961

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide (CID 107067691) is N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)N(Cc1ccccc1Br)C1CC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide?
The InChIKey is RVCZLAJZURHMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-12-5-4-10-19-16(12)17(21)20(14-8-9-14)11-13-6-2-3-7-15(13)18/h2-3,6-7,12,14,16,19H,4-5,8-11H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide?
N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide has a molecular weight of 351.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).