N-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide

C15H21BrN2O — CID 62210145

IUPACN-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)NCc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c16-14-4-1-13(2-5-14)11-18-15(19)6-3-12-7-9-17-10-8-12/h1-2,4-5,12,17H,3,6-11H2,(H,18,19)
InChIKeyHOCMBDDQQXSJBN-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.85
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide

N-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide (PubChem CID 62210145) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide
PubChem CID62210145
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)NCc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c16-14-4-1-13(2-5-14)11-18-15(19)6-3-12-7-9-17-10-8-12/h1-2,4-5,12,17H,3,6-11H2,(H,18,19)
InChIKeyHOCMBDDQQXSJBN-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-4-bromobenzamide
CID 10847785
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
n-Benzyl-4-bromobenzamide
CID 781117
N-(2-bromobenzyl)acetamide
CID 2824953
N-(1-Benzyl-piperidin-4-yl)-2-(3-bromo-phenyl)-acetamide
CID 10023073
1-[4-(2-Bromo-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 742528
1-[4-(4-Bromobenzyl)piperazin-1-yl]-3-methylbutan-1-one
CID 773311
2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 821124
4-bromo-N-(4-phenylbutyl)benzamide
CID 2057443
2-(4-bromophenyl)-N-cyclohexylacetamide
CID 842496
N-[3-[benzyl(methyl)amino]propyl]-4-bromobenzamide
CID 9049339
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-bromobenzamide
CID 11461014

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide (CID 62210145) is N-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide is O=C(CCC1CCNCC1)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide?
The InChIKey is HOCMBDDQQXSJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c16-14-4-1-13(2-5-14)11-18-15(19)6-3-12-7-9-17-10-8-12/h1-2,4-5,12,17H,3,6-11H2,(H,18,19).
What are the key properties of N-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide?
N-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide has a molecular weight of 325.25 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62210145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).