N-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide

C15H23N3O3S — CID 128514096

IUPACN-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESC[C@@H]1CC(=O)N[C@H](C(=O)N2CSCC2C(=O)NCC2CC2)C1
InChIInChI=1S/C15H23N3O3S/c1-9-4-11(17-13(19)5-9)15(21)18-8-22-7-12(18)14(20)16-6-10-2-3-10/h9-12H,2-8H2,1H3,(H,16,20)(H,17,19)/t9-,11-,12?/m0/s1
InChIKeyDIPIQGOAVJVOGJ-HFLPBZFISA-N
MW325.43 g/mol
LogP0.33
Rot. Bonds4

About N-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide

N-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 128514096) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
PubChem CID128514096
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESC[C@@H]1CC(=O)N[C@H](C(=O)N2CSCC2C(=O)NCC2CC2)C1
InChIInChI=1S/C15H23N3O3S/c1-9-4-11(17-13(19)5-9)15(21)18-8-22-7-12(18)14(20)16-6-10-2-3-10/h9-12H,2-8H2,1H3,(H,16,20)(H,17,19)/t9-,11-,12?/m0/s1
InChIKeyDIPIQGOAVJVOGJ-HFLPBZFISA-N
XLogP0.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 60608947
ethyl (4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate
CID 154574796
(4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 95154537
3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 10263810
N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 71926349
3-(cyclopentanecarbonyl)-N-(piperidin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 119461517
(4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24820077
2-amino-2-(hydroxymethyl)propane-1,3-diol;(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 44625960
(4S)-N-(cyclopropylmethyl)-3-(3-methyl-4-nitrobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95271806
ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 40854999
4-methyl-6-oxopiperidine-2-carboxamide
CID 130643778
3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197228

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide (CID 128514096) is N-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide is C[C@@H]1CC(=O)N[C@H](C(=O)N2CSCC2C(=O)NCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is DIPIQGOAVJVOGJ-HFLPBZFISA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-9-4-11(17-13(19)5-9)15(21)18-8-22-7-12(18)14(20)16-6-10-2-3-10/h9-12H,2-8H2,1H3,(H,16,20)(H,17,19)/t9-,11-,12?/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
N-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 128514096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).