N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide

C15H21BrN2O — CID 107583461

IUPACN-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
SMILESCc1cc(Br)cc(NC(=O)CCC2CCNCC2)c1
InChIInChI=1S/C15H21BrN2O/c1-11-8-13(16)10-14(9-11)18-15(19)3-2-12-4-6-17-7-5-12/h8-10,12,17H,2-7H2,1H3,(H,18,19)
InChIKeyOQGCTZDPMSXXEY-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.48
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide

N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide (PubChem CID 107583461) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
PubChem CID107583461
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
SMILESCc1cc(Br)cc(NC(=O)CCC2CCNCC2)c1
InChIInChI=1S/C15H21BrN2O/c1-11-8-13(16)10-14(9-11)18-15(19)3-2-12-4-6-17-7-5-12/h8-10,12,17H,2-7H2,1H3,(H,18,19)
InChIKeyOQGCTZDPMSXXEY-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide
CID 107574186
N-(3-bromo-5-methylphenyl)-3-(1,1-dioxothiolan-3-yl)propanamide
CID 110426523
N-(3,5-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 62210143
N-(3,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210135
N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide
CID 104938592
N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide
CID 107680294
2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide
CID 107583496
N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611
N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide
CID 81291964
N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857468
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline
CID 107582312
N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide
CID 62211363

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide (CID 107583461) is N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide is Cc1cc(Br)cc(NC(=O)CCC2CCNCC2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is OQGCTZDPMSXXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-8-13(16)10-14(9-11)18-15(19)3-2-12-4-6-17-7-5-12/h8-10,12,17H,2-7H2,1H3,(H,18,19).
What are the key properties of N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide?
N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 325.25 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 107583461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).