1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one

C16H29N3O2 — CID 119802135

IUPAC1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one
SMILESCC(CC(=O)N1CCN(C)C(=O)C1(C)C)C1CCNCC1
InChIInChI=1S/C16H29N3O2/c1-12(13-5-7-17-8-6-13)11-14(20)19-10-9-18(4)15(21)16(19,2)3/h12-13,17H,5-11H2,1-4H3
InChIKeyALSHXMDXNAPKBH-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.09
Rot. Bonds3

About 1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one

1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one (PubChem CID 119802135) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one
PubChem CID119802135
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one
SMILESCC(CC(=O)N1CCN(C)C(=O)C1(C)C)C1CCNCC1
InChIInChI=1S/C16H29N3O2/c1-12(13-5-7-17-8-6-13)11-14(20)19-10-9-18(4)15(21)16(19,2)3/h12-13,17H,5-11H2,1-4H3
InChIKeyALSHXMDXNAPKBH-UHFFFAOYSA-N
XLogP1.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119671942
3-piperidin-4-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 119827988
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
N-(1-methyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119782040
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119807411
1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119784917
3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one
CID 119876029
1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119890131
1-(2,3-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119764071
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119852053
3-piperidin-4-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylbutan-1-one
CID 119791577

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one?
The IUPAC name of 1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one (CID 119802135) is 1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one.
What is the SMILES notation for 1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one?
The canonical SMILES for 1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one is CC(CC(=O)N1CCN(C)C(=O)C1(C)C)C1CCNCC1.
What is the InChIKey of 1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one?
The InChIKey is ALSHXMDXNAPKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(13-5-7-17-8-6-13)11-14(20)19-10-9-18(4)15(21)16(19,2)3/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one?
1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one has a molecular weight of 295.43 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-4-(3-piperidin-4-ylbutanoyl)piperazin-2-one is sourced from PubChem (CID 119802135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).