1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one

C23H30N2O — CID 20795205

IUPAC1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one
SMILESCCCCN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-2-3-14-24-15-17-25(18-16-24)23(26)19-22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22H,2-3,14-19H2,1H3
InChIKeyGZCSZUJWSLQBLQ-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.15
Rot. Bonds7

About 1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one

1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one (PubChem CID 20795205) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one
PubChem CID20795205
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one
SMILESCCCCN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-2-3-14-24-15-17-25(18-16-24)23(26)19-22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22H,2-3,14-19H2,1H3
InChIKeyGZCSZUJWSLQBLQ-UHFFFAOYSA-N
XLogP4.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 142151557
1-(4-pentylpiperazin-1-yl)-2-phenylethanone
CID 113075097
1-(4-butyl-4-methylpiperazin-4-ium-1-yl)-3,3-diphenylpropan-1-one iodide
CID 3030264
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 35610560
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one
CID 110708065
1-benzhydryl-4-butylpiperazine
CID 13416419
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357
4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide
CID 157300457
(3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 29021819

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
The IUPAC name of 1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one (CID 20795205) is 1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one is CCCCN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
The InChIKey is GZCSZUJWSLQBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-2-3-14-24-15-17-25(18-16-24)23(26)19-22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22H,2-3,14-19H2,1H3.
What are the key properties of 1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one?
1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one has a molecular weight of 350.51 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one is sourced from PubChem (CID 20795205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).