3-methyl-4-piperazin-1-yl-N-propylbenzamide

C15H23N3O — CID 28749402

IUPAC3-methyl-4-piperazin-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N2CCNCC2)c(C)c1
InChIInChI=1S/C15H23N3O/c1-3-6-17-15(19)13-4-5-14(12(2)11-13)18-9-7-16-8-10-18/h4-5,11,16H,3,6-10H2,1-2H3,(H,17,19)
InChIKeyLQRUWUPHBGGWES-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.54
Rot. Bonds4

About 3-methyl-4-piperazin-1-yl-N-propylbenzamide

3-methyl-4-piperazin-1-yl-N-propylbenzamide (PubChem CID 28749402) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-methyl-4-piperazin-1-yl-N-propylbenzamide.

Molecular Properties

Compound Name3-methyl-4-piperazin-1-yl-N-propylbenzamide
PubChem CID28749402
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-methyl-4-piperazin-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N2CCNCC2)c(C)c1
InChIInChI=1S/C15H23N3O/c1-3-6-17-15(19)13-4-5-14(12(2)11-13)18-9-7-16-8-10-18/h4-5,11,16H,3,6-10H2,1-2H3,(H,17,19)
InChIKeyLQRUWUPHBGGWES-UHFFFAOYSA-N
XLogP1.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333735
N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide
CID 168512289
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
4-piperazin-1-yl-N-propyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide;2,2,2-trifluoroacetic acid
CID 146059430
4-(1,4-diazepan-1-yl)-3-methylbenzoic acid
CID 63212719
3-[(3-chloro-4-methylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059433
3-[(4-cyclohexylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333723
3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708769
3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059410
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
3-[[4-(2-methylpropyl)phenyl]sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059425
3-methyl-N-(2-methyl-4-piperazin-1-ylphenyl)-4-piperazin-1-ylbenzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769618

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-piperazin-1-yl-N-propylbenzamide?
The IUPAC name of 3-methyl-4-piperazin-1-yl-N-propylbenzamide (CID 28749402) is 3-methyl-4-piperazin-1-yl-N-propylbenzamide.
What is the SMILES notation for 3-methyl-4-piperazin-1-yl-N-propylbenzamide?
The canonical SMILES for 3-methyl-4-piperazin-1-yl-N-propylbenzamide is CCCNC(=O)c1ccc(N2CCNCC2)c(C)c1.
What is the InChIKey of 3-methyl-4-piperazin-1-yl-N-propylbenzamide?
The InChIKey is LQRUWUPHBGGWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-6-17-15(19)13-4-5-14(12(2)11-13)18-9-7-16-8-10-18/h4-5,11,16H,3,6-10H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-4-piperazin-1-yl-N-propylbenzamide?
3-methyl-4-piperazin-1-yl-N-propylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-piperazin-1-yl-N-propylbenzamide is sourced from PubChem (CID 28749402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).