(4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one

C19H31N3O2 — CID 129427813

IUPAC(4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H31N3O2/c1-20-10-4-8-16(20)17-9-5-11-21(17)19(24)14-12-18(23)22(13-14)15-6-2-3-7-15/h14-17H,2-13H2,1H3/t14-,16+,17+/m0/s1
InChIKeyHZTTUQOKEYFGJF-USXIJHARSA-N
MW333.48 g/mol
LogP1.86
Rot. Bonds3

About (4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 129427813) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID129427813
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H31N3O2/c1-20-10-4-8-16(20)17-9-5-11-21(17)19(24)14-12-18(23)22(13-14)15-6-2-3-7-15/h14-17H,2-13H2,1H3/t14-,16+,17+/m0/s1
InChIKeyHZTTUQOKEYFGJF-USXIJHARSA-N
XLogP1.86
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

cyclopentyl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95311578
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
(4R)-4-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95606236
cyclobutyl-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428271
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 61409118
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425
1-cyclopentyl-4-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 55179169
1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 79403206
(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 6942092
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208

Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 129427813) is (4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one is CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is HZTTUQOKEYFGJF-USXIJHARSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-20-10-4-8-16(20)17-9-5-11-21(17)19(24)14-12-18(23)22(13-14)15-6-2-3-7-15/h14-17H,2-13H2,1H3/t14-,16+,17+/m0/s1.
What are the key properties of (4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 333.48 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 129427813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).