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

C17H23BrN2O — CID 63130915

IUPACN-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)N(Cc2ccccc2Br)C2CC2)CCCNC1
InChIInChI=1S/C17H23BrN2O/c1-17(9-4-10-19-12-17)16(21)20(14-7-8-14)11-13-5-2-3-6-15(13)18/h2-3,5-6,14,19H,4,7-12H2,1H3
InChIKeyBHZYBXYPYYSWLA-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.33
Rot. Bonds4

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

N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-3-carboxamide (PubChem CID 63130915) 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-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-3-carboxamide
PubChem CID63130915
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC NameN-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)N(Cc2ccccc2Br)C2CC2)CCCNC1
InChIInChI=1S/C17H23BrN2O/c1-17(9-4-10-19-12-17)16(21)20(14-7-8-14)11-13-5-2-3-6-15(13)18/h2-3,5-6,14,19H,4,7-12H2,1H3
InChIKeyBHZYBXYPYYSWLA-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

N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 81128811
N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
CID 107067691
ethyl 2-[cyclopropyl-(3-methylpiperidine-3-carbonyl)amino]acetate
CID 63131815
N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 55165151
N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide
CID 63131473
4-[(2-bromophenyl)methyl-cyclopropylamino]-4-oxobutanoic acid
CID 54875215
N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide
CID 63130370
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
CID 60756148
2-(2-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569463
N-cyclobutyl-N,3-dimethylpiperidine-3-carboxamide
CID 115747528

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-3-carboxamide (CID 63130915) is N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-3-carboxamide is CC1(C(=O)N(Cc2ccccc2Br)C2CC2)CCCNC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-3-carboxamide?
The InChIKey is BHZYBXYPYYSWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-17(9-4-10-19-12-17)16(21)20(14-7-8-14)11-13-5-2-3-6-15(13)18/h2-3,5-6,14,19H,4,7-12H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-3-carboxamide?
N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-3-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-3-carboxamide is sourced from PubChem (CID 63130915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).