N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide

C15H18BrN3O — CID 102736286

IUPACN-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cc(Br)ccc2C#N)CC1
InChIInChI=1S/C15H18BrN3O/c1-11(20)18-10-12-4-6-19(7-5-12)15-8-14(16)3-2-13(15)9-17/h2-3,8,12H,4-7,10H2,1H3,(H,18,20)
InChIKeyGQOYQTZZXUGMIQ-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.67
Rot. Bonds3

About N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide

N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102736286) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide
PubChem CID102736286
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cc(Br)ccc2C#N)CC1
InChIInChI=1S/C15H18BrN3O/c1-11(20)18-10-12-4-6-19(7-5-12)15-8-14(16)3-2-13(15)9-17/h2-3,8,12H,4-7,10H2,1H3,(H,18,20)
InChIKeyGQOYQTZZXUGMIQ-UHFFFAOYSA-N
XLogP2.67
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide 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

2-[4-(acetamidomethyl)piperidin-1-yl]-4-bromobenzoic acid
CID 102736530
N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide
CID 102735880
1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
CID 114901547
N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide
CID 102735929
N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide
CID 102736730
5-bromo-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 114890510
2-(3-aminopyrrolidin-1-yl)-4-bromobenzonitrile
CID 112694717
N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736284
4-bromo-2-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 112694716
2-[4-(1-aminoethyl)piperidin-1-yl]-4-bromobenzonitrile
CID 114905514
5-bromo-2-[4-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile
CID 114894032
2-[4-(acetamidomethyl)piperidin-1-yl]-4-methylbenzoic acid
CID 102736410

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide (CID 102736286) is N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2cc(Br)ccc2C#N)CC1.
What is the InChIKey of N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is GQOYQTZZXUGMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-11(20)18-10-12-4-6-19(7-5-12)15-8-14(16)3-2-13(15)9-17/h2-3,8,12H,4-7,10H2,1H3,(H,18,20).
What are the key properties of N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 336.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).