1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one

C14H21N3O — CID 122147864

IUPAC1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one
SMILESCC1CN(C(=O)CC(C)c2ccncc2)CCN1
InChIInChI=1S/C14H21N3O/c1-11(13-3-5-15-6-4-13)9-14(18)17-8-7-16-12(2)10-17/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyQOEVNNZJMZTDGN-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.40
Rot. Bonds3

About 1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one

1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one (PubChem CID 122147864) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one
PubChem CID122147864
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one
SMILESCC1CN(C(=O)CC(C)c2ccncc2)CCN1
InChIInChI=1S/C14H21N3O/c1-11(13-3-5-15-6-4-13)9-14(18)17-8-7-16-12(2)10-17/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyQOEVNNZJMZTDGN-UHFFFAOYSA-N
XLogP1.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)butan-1-one
CID 119579126
(3S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 125146575
(3R)-3-(2-methylphenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 124591145
1-(3-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119576666
(3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 124694280
(3S)-1-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124587850
(3S)-1-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124570764
3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580841
3,4,4-trimethyl-1-[(3S)-3-methylpiperazin-1-yl]pentan-1-one
CID 81427089
1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one
CID 82510316
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
(3R)-3-(4-fluorophenyl)sulfonyl-1-[(3R)-3-methylpiperazin-1-yl]butan-1-one
CID 124620623

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one?
The IUPAC name of 1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one (CID 122147864) is 1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one.
What is the SMILES notation for 1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one?
The canonical SMILES for 1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one is CC1CN(C(=O)CC(C)c2ccncc2)CCN1.
What is the InChIKey of 1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one?
The InChIKey is QOEVNNZJMZTDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(13-3-5-15-6-4-13)9-14(18)17-8-7-16-12(2)10-17/h3-6,11-12,16H,7-10H2,1-2H3.
What are the key properties of 1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one?
1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one has a molecular weight of 247.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one is sourced from PubChem (CID 122147864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).