4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one

C19H29N3O — CID 120729739

IUPAC4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
SMILESO=C(CCCC1CCCCC1)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H29N3O/c23-19(10-4-8-16-6-2-1-3-7-16)22-13-12-21-15-18(22)17-9-5-11-20-14-17/h5,9,11,14,16,18,21H,1-4,6-8,10,12-13,15H2
InChIKeyXWYONVFPYPREIS-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.31
Rot. Bonds5

About 4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one

4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one (PubChem CID 120729739) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
PubChem CID120729739
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
SMILESO=C(CCCC1CCCCC1)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H29N3O/c23-19(10-4-8-16-6-2-1-3-7-16)22-13-12-21-15-18(22)17-9-5-11-20-14-17/h5,9,11,14,16,18,21H,1-4,6-8,10,12-13,15H2
InChIKeyXWYONVFPYPREIS-UHFFFAOYSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyridin-3-ylpiperazin-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one;hydrochloride
CID 120730031
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
CID 120731122
1-(2-pyridin-3-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 120730142
4-(3-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731482
4-(3,4-dichlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120730016
2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120729998
4-(3,4-difluorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120728910
3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059
3-(4-bromophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730560
3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120730987
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of 4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one (CID 120729739) is 4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one is O=C(CCCC1CCCCC1)N1CCNCC1c1cccnc1.
What is the InChIKey of 4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one?
The InChIKey is XWYONVFPYPREIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-19(10-4-8-16-6-2-1-3-7-16)22-13-12-21-15-18(22)17-9-5-11-20-14-17/h5,9,11,14,16,18,21H,1-4,6-8,10,12-13,15H2.
What are the key properties of 4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one?
4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one has a molecular weight of 315.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 120729739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).