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

C15H21N5O2S — CID 30937227

IUPAC(3S)-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-/m0/s1
InChIKeyFJRHONFRZYRBDE-LBPRGKRZSA-N
MW335.43 g/mol
LogP1.82
Rot. Bonds5

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

(3S)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide (PubChem CID 30937227) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is (3S)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
PubChem CID30937227
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name(3S)-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-/m0/s1
InChIKeyFJRHONFRZYRBDE-LBPRGKRZSA-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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide (CID 30937227) is (3S)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-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 (3S)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
The InChIKey is FJRHONFRZYRBDE-LBPRGKRZSA-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-/m0/s1.
What are the key properties of (3S)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide?
(3S)-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 (3S)-3-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 30937227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).