1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one

C14H27N3O — CID 115270004

IUPAC1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCCC(N2CCNCC2)C1
InChIInChI=1S/C14H27N3O/c1-2-3-6-14(18)17-9-4-5-13(12-17)16-10-7-15-8-11-16/h13,15H,2-12H2,1H3
InChIKeyABSMGMPIAVBXLG-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds4

About 1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one

1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one (PubChem CID 115270004) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one
PubChem CID115270004
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCCC(N2CCNCC2)C1
InChIInChI=1S/C14H27N3O/c1-2-3-6-14(18)17-9-4-5-13(12-17)16-10-7-15-8-11-16/h13,15H,2-12H2,1H3
InChIKeyABSMGMPIAVBXLG-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 120997252
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-piperazin-1-ylethanone
CID 55166951
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-oxohexanoic acid
CID 63150889
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-(methylamino)butan-1-one
CID 63151718
3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120996967
1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-propoxyethanone;hydrochloride
CID 120994583
1-(3-pyrrolidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 54876488
2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120996941
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one
CID 82241192
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one (CID 115270004) is 1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one is CCCCC(=O)N1CCCC(N2CCNCC2)C1.
What is the InChIKey of 1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one?
The InChIKey is ABSMGMPIAVBXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-3-6-14(18)17-9-4-5-13(12-17)16-10-7-15-8-11-16/h13,15H,2-12H2,1H3.
What are the key properties of 1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one?
1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 115270004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).