3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one

C13H23N3O2 — CID 114424023

IUPAC3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one
SMILESCC1CCNC(C(=O)N2CCNC(=O)C2(C)C)C1
InChIInChI=1S/C13H23N3O2/c1-9-4-5-14-10(8-9)11(17)16-7-6-15-12(18)13(16,2)3/h9-10,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyAMZSRLWWERTOSA-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.11
Rot. Bonds1

About 3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one

3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one (PubChem CID 114424023) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one
PubChem CID114424023
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one
SMILESCC1CCNC(C(=O)N2CCNC(=O)C2(C)C)C1
InChIInChI=1S/C13H23N3O2/c1-9-4-5-14-10(8-9)11(17)16-7-6-15-12(18)13(16,2)3/h9-10,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyAMZSRLWWERTOSA-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one
CID 65022862
4-(4-methylpiperidine-2-carbonyl)piperazin-2-one
CID 114422685
(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114424311
3,3-dimethyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 63361975
3,3-dimethyl-4-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperazin-2-one
CID 104896513
4-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-3,3-dimethylpiperazin-2-one
CID 119032644
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
3,3-dimethyl-4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperazin-2-one
CID 79354269
4-[3-(aminomethyl)cyclohexanecarbonyl]-3,3-dimethylpiperazin-2-one
CID 63601615
(3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114422546
3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one
CID 96515108
4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one
CID 63606211

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one (CID 114424023) is 3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one is CC1CCNC(C(=O)N2CCNC(=O)C2(C)C)C1.
What is the InChIKey of 3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one?
The InChIKey is AMZSRLWWERTOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-4-5-14-10(8-9)11(17)16-7-6-15-12(18)13(16,2)3/h9-10,14H,4-8H2,1-3H3,(H,15,18).
What are the key properties of 3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one?
3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(4-methylpiperidine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 114424023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).