(4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C18H25N3O2S — CID 95778865

IUPAC(4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1csc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)C2)n1
InChIInChI=1S/C18H25N3O2S/c1-12-11-24-17(19-12)14-3-2-6-20(9-14)18(23)15-7-16(22)21(10-15)8-13-4-5-13/h11,13-15H,2-10H2,1H3/t14-,15+/m0/s1
InChIKeyZZJZTTOGAYKXJB-LSDHHAIUSA-N
MW347.48 g/mol
LogP2.42
Rot. Bonds4

About (4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95778865) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is (4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95778865
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name(4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1csc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)C2)n1
InChIInChI=1S/C18H25N3O2S/c1-12-11-24-17(19-12)14-3-2-6-20(9-14)18(23)15-7-16(22)21(10-15)8-13-4-5-13/h11,13-15H,2-10H2,1H3/t14-,15+/m0/s1
InChIKeyZZJZTTOGAYKXJB-LSDHHAIUSA-N
XLogP2.42
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95768714
[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95779008
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95778814
(4R)-1-(cyclopropylmethyl)-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158273
(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158276
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119873384
[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95778914
(4S)-1-(2-methoxyethyl)-4-[(3S)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95178640
6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95778986
(1-aminocyclohexyl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119873411

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 95778865) is (4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is Cc1csc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)C2)n1.
What is the InChIKey of (4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ZZJZTTOGAYKXJB-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-12-11-24-17(19-12)14-3-2-6-20(9-14)18(23)15-7-16(22)21(10-15)8-13-4-5-13/h11,13-15H,2-10H2,1H3/t14-,15+/m0/s1.
What are the key properties of (4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 347.48 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95778865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).