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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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).