[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone

C15H23N3O — CID 63337612

IUPAC[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(C(C)CN)CC2)c1
InChIInChI=1S/C15H23N3O/c1-12-4-3-5-14(10-12)15(19)18-8-6-17(7-9-18)13(2)11-16/h3-5,10,13H,6-9,11,16H2,1-2H3
InChIKeyBYCTYUUOYUBLPY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.10
Rot. Bonds3

About [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone

[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone (PubChem CID 63337612) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
PubChem CID63337612
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(C(C)CN)CC2)c1
InChIInChI=1S/C15H23N3O/c1-12-4-3-5-14(10-12)15(19)18-8-6-17(7-9-18)13(2)11-16/h3-5,10,13H,6-9,11,16H2,1-2H3
InChIKeyBYCTYUUOYUBLPY-UHFFFAOYSA-N
XLogP1.10
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)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

[4-(1-aminopropan-2-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63337833
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
(2S)-2-amino-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 119282271
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 63337395
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
(4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 55116787
[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584943
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
(2S)-2-amino-4-methyl-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 119710666
[3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62591369

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone (CID 63337612) is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN(C(C)CN)CC2)c1.
What is the InChIKey of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is BYCTYUUOYUBLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-4-3-5-14(10-12)15(19)18-8-6-17(7-9-18)13(2)11-16/h3-5,10,13H,6-9,11,16H2,1-2H3.
What are the key properties of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone?
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 261.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 63337612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).