N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide

C16H24N4O — CID 61440797

IUPACN-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide
SMILESNCc1cccc(NC(=O)CN2CCN(C3CC3)CC2)c1
InChIInChI=1S/C16H24N4O/c17-11-13-2-1-3-14(10-13)18-16(21)12-19-6-8-20(9-7-19)15-4-5-15/h1-3,10,15H,4-9,11-12,17H2,(H,18,21)
InChIKeyNLKMTVBNZQJWSA-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.86
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide

N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide (PubChem CID 61440797) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide
PubChem CID61440797
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide
SMILESNCc1cccc(NC(=O)CN2CCN(C3CC3)CC2)c1
InChIInChI=1S/C16H24N4O/c17-11-13-2-1-3-14(10-13)18-16(21)12-19-6-8-20(9-7-19)15-4-5-15/h1-3,10,15H,4-9,11-12,17H2,(H,18,21)
InChIKeyNLKMTVBNZQJWSA-UHFFFAOYSA-N
XLogP0.86
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)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

N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16786515
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298
N-[3-(aminomethyl)phenyl]-2-morpholin-4-ylacetamide
CID 16779234
N-(3-aminophenyl)-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetamide
CID 79917172
N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
CID 103531213
2-(4-cyclopentylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 34421603
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
CID 16793720
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide
CID 97011458
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
CID 171327671

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide (CID 61440797) is N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide is NCc1cccc(NC(=O)CN2CCN(C3CC3)CC2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide?
The InChIKey is NLKMTVBNZQJWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-11-13-2-1-3-14(10-13)18-16(21)12-19-6-8-20(9-7-19)15-4-5-15/h1-3,10,15H,4-9,11-12,17H2,(H,18,21).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide?
N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide is sourced from PubChem (CID 61440797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).