1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one

C16H30N2O2 — CID 2931940

IUPAC1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CC(C)N(C(=O)CC(C)C)CC1C
InChIInChI=1S/C16H30N2O2/c1-11(2)7-15(19)17-9-14(6)18(10-13(17)5)16(20)8-12(3)4/h11-14H,7-10H2,1-6H3
InChIKeyFPTPOORYGGKFSS-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.53
Rot. Bonds4

About 1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one

1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 2931940) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID2931940
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CC(C)N(C(=O)CC(C)C)CC1C
InChIInChI=1S/C16H30N2O2/c1-11(2)7-15(19)17-9-14(6)18(10-13(17)5)16(20)8-12(3)4/h11-14H,7-10H2,1-6H3
InChIKeyFPTPOORYGGKFSS-UHFFFAOYSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one (CID 2931940) is 1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CC(C)N(C(=O)CC(C)C)CC1C.
What is the InChIKey of 1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is FPTPOORYGGKFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11(2)7-15(19)17-9-14(6)18(10-13(17)5)16(20)8-12(3)4/h11-14H,7-10H2,1-6H3.
What are the key properties of 1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one?
1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-4-(3-methylbutanoyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 2931940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).