4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one

C16H30N4O2 — CID 120819697

IUPAC4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
SMILESCN(C)CCN1CC(C(=O)N2CCC(N)C(C)(C)C2)CC1=O
InChIInChI=1S/C16H30N4O2/c1-16(2)11-20(6-5-13(16)17)15(22)12-9-14(21)19(10-12)8-7-18(3)4/h12-13H,5-11,17H2,1-4H3
InChIKeyBIXOXQPZHZNANU-UHFFFAOYSA-N
MW310.44 g/mol
LogP-0.02
Rot. Bonds4

About 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one (PubChem CID 120819697) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
PubChem CID120819697
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
SMILESCN(C)CCN1CC(C(=O)N2CCC(N)C(C)(C)C2)CC1=O
InChIInChI=1S/C16H30N4O2/c1-16(2)11-20(6-5-13(16)17)15(22)12-9-14(21)19(10-12)8-7-18(3)4/h12-13H,5-11,17H2,1-4H3
InChIKeyBIXOXQPZHZNANU-UHFFFAOYSA-N
XLogP-0.02
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 120816794
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
1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 108800270
4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 119416484
N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 119480879
4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 82042053
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120749928
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97150099
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95128434
(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

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one (CID 120819697) is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one is CN(C)CCN1CC(C(=O)N2CCC(N)C(C)(C)C2)CC1=O.
What is the InChIKey of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
The InChIKey is BIXOXQPZHZNANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-16(2)11-20(6-5-13(16)17)15(22)12-9-14(21)19(10-12)8-7-18(3)4/h12-13H,5-11,17H2,1-4H3.
What are the key properties of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one has a molecular weight of 310.44 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 120819697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).