4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride

C20H30ClN3O2 — CID 119488557

IUPAC4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
SMILESCNC1CCCN(C(=O)C2CC(=O)N(c3c(C)cc(C)cc3C)C2)C1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-13-8-14(2)19(15(3)9-13)23-11-16(10-18(23)24)20(25)22-7-5-6-17(12-22)21-4;/h8-9,16-17,21H,5-7,10-12H2,1-4H3;1H
InChIKeyDZDCTDMTTSFWKL-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.60
Rot. Bonds3

About 4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride

4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 119488557) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
PubChem CID119488557
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
SMILESCNC1CCCN(C(=O)C2CC(=O)N(c3c(C)cc(C)cc3C)C2)C1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-13-8-14(2)19(15(3)9-13)23-11-16(10-18(23)24)20(25)22-7-5-6-17(12-22)21-4;/h8-9,16-17,21H,5-7,10-12H2,1-4H3;1H
InChIKeyDZDCTDMTTSFWKL-UHFFFAOYSA-N
XLogP2.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 119622256
1-(2,4-difluorophenyl)-4-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119490260
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 120816701
4-[3-(methylamino)piperidine-1-carbonyl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 119490119
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119466766
(4R)-1-(2,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 26615613
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 113186748
5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119450293
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
[3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 119489304
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride (CID 119488557) is 4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride is CNC1CCCN(C(=O)C2CC(=O)N(c3c(C)cc(C)cc3C)C2)C1.Cl.
What is the InChIKey of 4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is DZDCTDMTTSFWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-13-8-14(2)19(15(3)9-13)23-11-16(10-18(23)24)20(25)22-7-5-6-17(12-22)21-4;/h8-9,16-17,21H,5-7,10-12H2,1-4H3;1H.
What are the key properties of 4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride?
4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119488557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).