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

C18H25N3O2S — CID 124780262

IUPAC(4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)[C@H]1CSC(=O)N1
InChIInChI=1S/C18H25N3O2S/c1-12-8-21(10-14-6-4-3-5-7-14)9-13(2)16(12)20-17(22)15-11-24-18(23)19-15/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,19,23)(H,20,22)/t12-,13+,15-,16?/m1/s1
InChIKeyKLYJEBBDXWNSOP-XFDYKOMQSA-N
MW347.48 g/mol
LogP2.08
Rot. Bonds4

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

(4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 124780262) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is (4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID124780262
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name(4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)[C@H]1CSC(=O)N1
InChIInChI=1S/C18H25N3O2S/c1-12-8-21(10-14-6-4-3-5-7-14)9-13(2)16(12)20-17(22)15-11-24-18(23)19-15/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,19,23)(H,20,22)/t12-,13+,15-,16?/m1/s1
InChIKeyKLYJEBBDXWNSOP-XFDYKOMQSA-N
XLogP2.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 120647087
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119942283
N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide
CID 97092747
N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide
CID 97092752
1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 23062043
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide
CID 119953982
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129429508
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129429507
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]oxane-4-carboxamide
CID 124829531
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119889796
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide (CID 124780262) is (4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide is C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)[C@H]1CSC(=O)N1.
What is the InChIKey of (4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is KLYJEBBDXWNSOP-XFDYKOMQSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-12-8-21(10-14-6-4-3-5-7-14)9-13(2)16(12)20-17(22)15-11-24-18(23)19-15/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,19,23)(H,20,22)/t12-,13+,15-,16?/m1/s1.
What are the key properties of (4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
(4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124780262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).