(3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C15H21N5OS — CID 97073252

IUPAC(3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1ccsc1CNC(=O)N1CCC[C@@H](c2nncn2C)C1
InChIInChI=1S/C15H21N5OS/c1-11-5-7-22-13(11)8-16-15(21)20-6-3-4-12(9-20)14-18-17-10-19(14)2/h5,7,10,12H,3-4,6,8-9H2,1-2H3,(H,16,21)/t12-/m1/s1
InChIKeyKRRYGJDCOOLEBQ-GFCCVEGCSA-N
MW319.43 g/mol
LogP2.27
Rot. Bonds3

About (3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

(3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 97073252) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is (3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID97073252
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name(3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1ccsc1CNC(=O)N1CCC[C@@H](c2nncn2C)C1
InChIInChI=1S/C15H21N5OS/c1-11-5-7-22-13(11)8-16-15(21)20-6-3-4-12(9-20)14-18-17-10-19(14)2/h5,7,10,12H,3-4,6,8-9H2,1-2H3,(H,16,21)/t12-/m1/s1
InChIKeyKRRYGJDCOOLEBQ-GFCCVEGCSA-N
XLogP2.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 97073252) is (3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cc1ccsc1CNC(=O)N1CCC[C@@H](c2nncn2C)C1.
What is the InChIKey of (3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is KRRYGJDCOOLEBQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11-5-7-22-13(11)8-16-15(21)20-6-3-4-12(9-20)14-18-17-10-19(14)2/h5,7,10,12H,3-4,6,8-9H2,1-2H3,(H,16,21)/t12-/m1/s1.
What are the key properties of (3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
(3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97073252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).