(4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide

C21H31N3O2S — CID 95581574

IUPAC(4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C[C@@H](C)NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)C1
InChIInChI=1S/C21H31N3O2S/c1-15-9-16(2)11-23(10-15)12-17(3)22-20(25)19-13-27-14-24(19)21(26)18-7-5-4-6-8-18/h4-8,15-17,19H,9-14H2,1-3H3,(H,22,25)/t15-,16+,17-,19+/m1/s1
InChIKeyJFUWFOXPLAYQLI-NTDBWNAOSA-N
MW389.57 g/mol
LogP2.68
Rot. Bonds5

About (4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide

(4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95581574) has the molecular formula C21H31N3O2S and a molecular weight of 389.57 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID95581574
Molecular FormulaC21H31N3O2S
Molecular Weight389.57 g/mol
Exact Mass389.21
IUPAC Name(4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C[C@@H](C)NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)C1
InChIInChI=1S/C21H31N3O2S/c1-15-9-16(2)11-23(10-15)12-17(3)22-20(25)19-13-27-14-24(19)21(26)18-7-5-4-6-8-18/h4-8,15-17,19H,9-14H2,1-3H3,(H,22,25)/t15-,16+,17-,19+/m1/s1
InChIKeyJFUWFOXPLAYQLI-NTDBWNAOSA-N
XLogP2.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

(4R)-3-benzoyl-N-[(1S)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 3077631
N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 60609336
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745328
N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide
CID 60574406
(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 93041089
1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide
CID 60573630
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-benzoyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55768686
(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide
CID 94608808
(4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 55941886

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide (CID 95581574) is (4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide is C[C@@H]1C[C@H](C)CN(C[C@@H](C)NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)C1.
What is the InChIKey of (4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is JFUWFOXPLAYQLI-NTDBWNAOSA-N. The full InChI is InChI=1S/C21H31N3O2S/c1-15-9-16(2)11-23(10-15)12-17(3)22-20(25)19-13-27-14-24(19)21(26)18-7-5-4-6-8-18/h4-8,15-17,19H,9-14H2,1-3H3,(H,22,25)/t15-,16+,17-,19+/m1/s1.
What are the key properties of (4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 389.57 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95581574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).