1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one

C16H30N2O — CID 113074898

IUPAC1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-14(2)13-16(19)18-11-9-17(10-12-18)15-7-5-3-4-6-8-15/h14-15H,3-13H2,1-2H3
InChIKeyMEKXGJZSKZCMGG-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.90
Rot. Bonds3

About 1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one

1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one (PubChem CID 113074898) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one
PubChem CID113074898
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-14(2)13-16(19)18-11-9-17(10-12-18)15-7-5-3-4-6-8-15/h14-15H,3-13H2,1-2H3
InChIKeyMEKXGJZSKZCMGG-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 113073042
3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693420
3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one;oxalic acid
CID 2912644
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252
N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide
CID 110810633
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797304
(3aS,7aS)-3-[1-[1-(3-methylbutanoyl)piperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 24883164
(7aS)-3-[1-[1-(3-methylbutanoyl)piperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 143591931
1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 806442
5-(3-methylbutanoyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157013855
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119887175

Frequently Asked Questions

What is the IUPAC name of 1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one (CID 113074898) is 1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(C2CCCCCC2)CC1.
What is the InChIKey of 1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one?
The InChIKey is MEKXGJZSKZCMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14(2)13-16(19)18-11-9-17(10-12-18)15-7-5-3-4-6-8-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one?
1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 113074898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).