N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide

C15H21BrN2O — CID 75927878

IUPACN-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O/c1-2-15(19)17-14-4-3-9-18(11-14)10-12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyIMDMFDJAPHLLKT-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.94
Rot. Bonds4

About N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide

N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 75927878) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide
PubChem CID75927878
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O/c1-2-15(19)17-14-4-3-9-18(11-14)10-12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyIMDMFDJAPHLLKT-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide 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-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
CID 96549596
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 51636347
N-[(3R)-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 95249651
N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 56785606
N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide
CID 100707416
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
(3S)-1-[(4-bromophenyl)methyl]-3-[(1R)-1-chloroethyl]piperidine;oxalic acid
CID 54608918
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide
CID 107025229

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide (CID 75927878) is N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide is CCC(=O)NC1CCCN(Cc2ccc(Br)cc2)C1.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide?
The InChIKey is IMDMFDJAPHLLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-2-15(19)17-14-4-3-9-18(11-14)10-12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3,(H,17,19).
What are the key properties of N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide?
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 325.25 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 N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 75927878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).