(2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide

C15H22N4O2S — CID 124626874

IUPAC(2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1nc([C@H]2CCCN2C(=O)N[C@H]2C(=O)NCC[C@H]2C)cs1
InChIInChI=1S/C15H22N4O2S/c1-9-5-6-16-14(20)13(9)18-15(21)19-7-3-4-12(19)11-8-22-10(2)17-11/h8-9,12-13H,3-7H2,1-2H3,(H,16,20)(H,18,21)/t9-,12-,13-/m1/s1
InChIKeyXWVAFZHDLXELIW-OASPWFOLSA-N
MW322.43 g/mol
LogP1.82
Rot. Bonds2

About (2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide

(2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 124626874) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is (2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID124626874
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name(2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1nc([C@H]2CCCN2C(=O)N[C@H]2C(=O)NCC[C@H]2C)cs1
InChIInChI=1S/C15H22N4O2S/c1-9-5-6-16-14(20)13(9)18-15(21)19-7-3-4-12(19)11-8-22-10(2)17-11/h8-9,12-13H,3-7H2,1-2H3,(H,16,20)(H,18,21)/t9-,12-,13-/m1/s1
InChIKeyXWVAFZHDLXELIW-OASPWFOLSA-N
XLogP1.82
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea
CID 127920280
(2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 124736836
cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066037
(2S)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
CID 124886957
(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 124622225
(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 124622224
N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
CID 126794828
1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone
CID 136533413
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47071734
[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone
CID 127940351
1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one
CID 136533559
N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 166413666

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide (CID 124626874) is (2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide is Cc1nc([C@H]2CCCN2C(=O)N[C@H]2C(=O)NCC[C@H]2C)cs1.
What is the InChIKey of (2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is XWVAFZHDLXELIW-OASPWFOLSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-9-5-6-16-14(20)13(9)18-15(21)19-7-3-4-12(19)11-8-22-10(2)17-11/h8-9,12-13H,3-7H2,1-2H3,(H,16,20)(H,18,21)/t9-,12-,13-/m1/s1.
What are the key properties of (2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide?
(2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124626874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).