3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

C19H31N3O — CID 109029274

IUPAC3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCCCCN(C)CCC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C19H31N3O/c1-4-5-10-20(3)11-9-19(23)22-14-12-21(13-15-22)18-8-6-7-17(2)16-18/h6-8,16H,4-5,9-15H2,1-3H3
InChIKeyWNYNIPDRYZNLTN-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.77
Rot. Bonds7

About 3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 109029274) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID109029274
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCCCCN(C)CCC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C19H31N3O/c1-4-5-10-20(3)11-9-19(23)22-14-12-21(13-15-22)18-8-6-7-17(2)16-18/h6-8,16H,4-5,9-15H2,1-3H3
InChIKeyWNYNIPDRYZNLTN-UHFFFAOYSA-N
XLogP2.77
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide
CID 113135910
3-[methyl-(1-methylpiperidin-4-yl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 110838938
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
N-butyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978748
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide
CID 108950423
2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002124
N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109149374
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109088698
5-amino-1-[4-(3-methylphenyl)piperazin-1-yl]hexan-1-one
CID 82846569
N-(3-methylbutyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide
CID 113141146

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (CID 109029274) is 3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is CCCCN(C)CCC(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is WNYNIPDRYZNLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-5-10-20(3)11-9-19(23)22-14-12-21(13-15-22)18-8-6-7-17(2)16-18/h6-8,16H,4-5,9-15H2,1-3H3.
What are the key properties of 3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 317.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 109029274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).