4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one

C13H23N3O2 — CID 120816794

IUPAC4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC(N)C(C)(C)C2)CC1=O
InChIInChI=1S/C13H23N3O2/c1-13(2)8-16(5-4-10(13)14)12(18)9-6-11(17)15(3)7-9/h9-10H,4-8,14H2,1-3H3
InChIKeyNSPDQVZLWVPIQP-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.05
Rot. Bonds1

About 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one (PubChem CID 120816794) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one
PubChem CID120816794
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC(N)C(C)(C)C2)CC1=O
InChIInChI=1S/C13H23N3O2/c1-13(2)8-16(5-4-10(13)14)12(18)9-6-11(17)15(3)7-9/h9-10H,4-8,14H2,1-3H3
InChIKeyNSPDQVZLWVPIQP-UHFFFAOYSA-N
XLogP0.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120819697
(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
CID 120818837
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 120816701
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 120814064
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 120816164
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 120816163
(4-amino-3,3-dimethylpiperidin-1-yl)-(thian-4-yl)methanone
CID 120819844
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 120820032
4-(2-azaspiro[4.5]decane-2-carbonyl)-1-methylpyrrolidin-2-one
CID 127355360
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 120816065
1-methyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82508282
1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982721

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one (CID 120816794) is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one is CN1CC(C(=O)N2CCC(N)C(C)(C)C2)CC1=O.
What is the InChIKey of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one?
The InChIKey is NSPDQVZLWVPIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2)8-16(5-4-10(13)14)12(18)9-6-11(17)15(3)7-9/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one?
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 120816794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).