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

C14H23N5O2 — CID 95129687

IUPAC(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
SMILESCn1cnnc1[C@@H]1CCCN(C(=O)NC[C@@H]2CCCO2)C1
InChIInChI=1S/C14H23N5O2/c1-18-10-16-17-13(18)11-4-2-6-19(9-11)14(20)15-8-12-5-3-7-21-12/h10-12H,2-9H2,1H3,(H,15,20)/t11-,12+/m1/s1
InChIKeyXKYLSEDZCUKIFH-NEPJUHHUSA-N
MW293.37 g/mol
LogP0.88
Rot. Bonds3

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

(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide (PubChem CID 95129687) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
PubChem CID95129687
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
SMILESCn1cnnc1[C@@H]1CCCN(C(=O)NC[C@@H]2CCCO2)C1
InChIInChI=1S/C14H23N5O2/c1-18-10-16-17-13(18)11-4-2-6-19(9-11)14(20)15-8-12-5-3-7-21-12/h10-12H,2-9H2,1H3,(H,15,20)/t11-,12+/m1/s1
InChIKeyXKYLSEDZCUKIFH-NEPJUHHUSA-N
XLogP0.88
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 94172075
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666
1-N-(oxolan-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide
CID 56807058
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 95278223
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9378471
ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127
3-(1,3-dioxolan-2-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 56505795
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 97076083
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
(3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 94585398

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide (CID 95129687) is (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide is Cn1cnnc1[C@@H]1CCCN(C(=O)NC[C@@H]2CCCO2)C1.
What is the InChIKey of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide?
The InChIKey is XKYLSEDZCUKIFH-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-18-10-16-17-13(18)11-4-2-6-19(9-11)14(20)15-8-12-5-3-7-21-12/h10-12H,2-9H2,1H3,(H,15,20)/t11-,12+/m1/s1.
What are the key properties of (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide?
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 95129687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).