(3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide

C15H21N5O2S — CID 30937224

IUPAC(3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccsc1)N1CCC[C@@H](Cn2cc(CCO)nn2)C1
InChIInChI=1S/C15H21N5O2S/c21-6-3-13-10-20(18-17-13)9-12-2-1-5-19(8-12)15(22)16-14-4-7-23-11-14/h4,7,10-12,21H,1-3,5-6,8-9H2,(H,16,22)/t12-/m1/s1
InChIKeyFJRHONFRZYRBDE-GFCCVEGCSA-N
MW335.43 g/mol
LogP1.82
Rot. Bonds5

About (3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide

(3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide (PubChem CID 30937224) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is (3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
PubChem CID30937224
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name(3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccsc1)N1CCC[C@@H](Cn2cc(CCO)nn2)C1
InChIInChI=1S/C15H21N5O2S/c21-6-3-13-10-20(18-17-13)9-12-2-1-5-19(8-12)15(22)16-14-4-7-23-11-14/h4,7,10-12,21H,1-3,5-6,8-9H2,(H,16,22)/t12-/m1/s1
InChIKeyFJRHONFRZYRBDE-GFCCVEGCSA-N
XLogP1.82
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{[4-(1-amino-1-ethylpropyl)-1H-1,2,3-triazol-1-yl]methyl}-N-3-thienyl-1-piperidinecarboxamide
CID 45221934
3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 154888370
4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-N-3-thienyl-1-piperidinecarboxamide
CID 31074901
4-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-N-3-thienyl-1-piperidinecarboxamide
CID 31126037
3-{[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]methyl}-N-3-thienyl-1-piperidinecarboxamide
CID 45197790
(3S)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 30937227
4-(4-cyclohexyl-1H-1,2,3-triazol-1-yl)-N-3-thienyl-1-piperidinecarboxamide
CID 31054564
(3R)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31074162
(3S)-3-[[4-(3-aminopentan-3-yl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31074166
(3R)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31224663
(3S)-3-[(4-cyclopentyltriazol-1-yl)methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31224665
3-[(4-cyclopentyl-1H-1,2,3-triazol-1-yl)methyl]-N-3-thienyl-1-piperidinecarboxamide
CID 45249341

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide (CID 30937224) is (3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide is O=C(Nc1ccsc1)N1CCC[C@@H](Cn2cc(CCO)nn2)C1.
What is the InChIKey of (3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The InChIKey is FJRHONFRZYRBDE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O2S/c21-6-3-13-10-20(18-17-13)9-12-2-1-5-19(8-12)15(22)16-14-4-7-23-11-14/h4,7,10-12,21H,1-3,5-6,8-9H2,(H,16,22)/t12-/m1/s1.
What are the key properties of (3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
(3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 30937224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).