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

C19H31N3O — CID 109026864

IUPAC1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
SMILESCCCCN(C)CCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-3-4-11-20(2)12-10-19(23)22-15-13-21(14-16-22)17-18-8-6-5-7-9-18/h5-9H,3-4,10-17H2,1-2H3
InChIKeyQIFUCLHNVRFTNH-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.45
Rot. Bonds8

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

1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one (PubChem CID 109026864) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
PubChem CID109026864
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
SMILESCCCCN(C)CCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-3-4-11-20(2)12-10-19(23)22-15-13-21(14-16-22)17-18-8-6-5-7-9-18/h5-9H,3-4,10-17H2,1-2H3
InChIKeyQIFUCLHNVRFTNH-UHFFFAOYSA-N
XLogP2.45
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide
CID 42700275
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1-butyl-3-(2,6-dimethylphenyl)urea
CID 42700281
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide
CID 113115363
1-(4-benzylpiperazin-1-yl)-3-(propylamino)propan-1-one
CID 109011519
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1-butyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42700280
1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
CID 143244837
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide
CID 3593463
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 42699656
3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide
CID 109055636

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one (CID 109026864) is 1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one is CCCCN(C)CCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one?
The InChIKey is QIFUCLHNVRFTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-3-4-11-20(2)12-10-19(23)22-15-13-21(14-16-22)17-18-8-6-5-7-9-18/h5-9H,3-4,10-17H2,1-2H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one?
1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one has a molecular weight of 317.48 g/mol, XLogP of 2.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one is sourced from PubChem (CID 109026864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).