(3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide

C12H21N5O2 — CID 164634535

IUPAC(3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide
SMILESCCn1ncnc1CNC(=O)N1CCC[C@](C)(O)C1
InChIInChI=1S/C12H21N5O2/c1-3-17-10(14-9-15-17)7-13-11(18)16-6-4-5-12(2,19)8-16/h9,19H,3-8H2,1-2H3,(H,13,18)/t12-/m0/s1
InChIKeyRABYWTUIFOVNNJ-LBPRGKRZSA-N
MW267.33 g/mol
LogP0.35
Rot. Bonds3

About (3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide

(3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide (PubChem CID 164634535) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide
PubChem CID164634535
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name(3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide
SMILESCCn1ncnc1CNC(=O)N1CCC[C@](C)(O)C1
InChIInChI=1S/C12H21N5O2/c1-3-17-10(14-9-15-17)7-13-11(18)16-6-4-5-12(2,19)8-16/h9,19H,3-8H2,1-2H3,(H,13,18)/t12-/m0/s1
InChIKeyRABYWTUIFOVNNJ-LBPRGKRZSA-N
XLogP0.35
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide (CID 164634535) is (3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide is CCn1ncnc1CNC(=O)N1CCC[C@](C)(O)C1.
What is the InChIKey of (3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide?
The InChIKey is RABYWTUIFOVNNJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-17-10(14-9-15-17)7-13-11(18)16-6-4-5-12(2,19)8-16/h9,19H,3-8H2,1-2H3,(H,13,18)/t12-/m0/s1.
What are the key properties of (3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide?
(3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 164634535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).