(3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone

C15H21N3O — CID 61115004

IUPAC(3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESCc1c(N)cccc1C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C15H21N3O/c1-11-13(3-2-4-14(11)16)15(19)18-9-7-17(8-10-18)12-5-6-12/h2-4,12H,5-10,16H2,1H3
InChIKeyLCLMHKLNEXPYQZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.50
Rot. Bonds2

About (3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone

(3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone (PubChem CID 61115004) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone
PubChem CID61115004
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESCc1c(N)cccc1C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C15H21N3O/c1-11-13(3-2-4-14(11)16)15(19)18-9-7-17(8-10-18)12-5-6-12/h2-4,12H,5-10,16H2,1H3
InChIKeyLCLMHKLNEXPYQZ-UHFFFAOYSA-N
XLogP1.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone 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

1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone
CID 16785939
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
(3-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 55247851
(3-amino-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 28786513
(2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 119947314
(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43502725
(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
CID 28723214
(3-amino-2-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 28723150
(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28723176
(3-amino-2-methylphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407203
3-(4-cyclopropylpiperazin-1-yl)-2-methylaniline
CID 55147181
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The IUPAC name of (3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone (CID 61115004) is (3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The canonical SMILES for (3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone is Cc1c(N)cccc1C(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of (3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The InChIKey is LCLMHKLNEXPYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-13(3-2-4-14(11)16)15(19)18-9-7-17(8-10-18)12-5-6-12/h2-4,12H,5-10,16H2,1H3.
What are the key properties of (3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone?
(3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone is sourced from PubChem (CID 61115004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).