4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one

C12H21N3O2 — CID 120572888

IUPAC4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one
SMILESCC1NCCN(C(=O)C2CCNC(=O)C2)C1C
InChIInChI=1S/C12H21N3O2/c1-8-9(2)15(6-5-13-8)12(17)10-3-4-14-11(16)7-10/h8-10,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyXSUMAZQBDTVDPJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.28
Rot. Bonds1

About 4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one

4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one (PubChem CID 120572888) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one
PubChem CID120572888
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one
SMILESCC1NCCN(C(=O)C2CCNC(=O)C2)C1C
InChIInChI=1S/C12H21N3O2/c1-8-9(2)15(6-5-13-8)12(17)10-3-4-14-11(16)7-10/h8-10,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyXSUMAZQBDTVDPJ-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpiperidin-2-one;hydrochloride
CID 120572547
(2,3-dimethylpiperazin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 120571063
4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one
CID 84588479
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
(4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one
CID 120569626
4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 120571726
1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120571907
1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120572209
4-(2,3-dimethylpiperazine-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one;dihydrochloride
CID 120570902
1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-7-phenyl-1,4-diazepan-5-one;hydrochloride
CID 120623924
4-(2,3-dimethylpiperazine-1-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120570055
(1-butylsulfonylpiperidin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572115

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one?
The IUPAC name of 4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one (CID 120572888) is 4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one is CC1NCCN(C(=O)C2CCNC(=O)C2)C1C.
What is the InChIKey of 4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one?
The InChIKey is XSUMAZQBDTVDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-9(2)15(6-5-13-8)12(17)10-3-4-14-11(16)7-10/h8-10,13H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one?
4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperazine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 120572888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).