(3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide

C14H25N5O2 — CID 94168321

IUPAC(3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide
SMILESCCc1nc(NC(=O)N2CCC[C@@H](C(C)(C)O)C2)nn1C
InChIInChI=1S/C14H25N5O2/c1-5-11-15-12(17-18(11)4)16-13(20)19-8-6-7-10(9-19)14(2,3)21/h10,21H,5-9H2,1-4H3,(H,16,17,20)/t10-/m1/s1
InChIKeySYKJMUFLFRZVQR-SNVBAGLBSA-N
MW295.39 g/mol
LogP1.39
Rot. Bonds3

About (3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide

(3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide (PubChem CID 94168321) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is (3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide
PubChem CID94168321
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name(3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide
SMILESCCc1nc(NC(=O)N2CCC[C@@H](C(C)(C)O)C2)nn1C
InChIInChI=1S/C14H25N5O2/c1-5-11-15-12(17-18(11)4)16-13(20)19-8-6-7-10(9-19)14(2,3)21/h10,21H,5-9H2,1-4H3,(H,16,17,20)/t10-/m1/s1
InChIKeySYKJMUFLFRZVQR-SNVBAGLBSA-N
XLogP1.39
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46997326
1-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]butan-1-one
CID 165439552
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 138054403
N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide
CID 111422829
(3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 172908536
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51084737
tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 68596422
(3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 95046033
1-[(1-tert-butyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089621
tert-butyl (3S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate
CID 129380196
tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate
CID 129380197
3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 91905133

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide (CID 94168321) is (3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide is CCc1nc(NC(=O)N2CCC[C@@H](C(C)(C)O)C2)nn1C.
What is the InChIKey of (3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide?
The InChIKey is SYKJMUFLFRZVQR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-5-11-15-12(17-18(11)4)16-13(20)19-8-6-7-10(9-19)14(2,3)21/h10,21H,5-9H2,1-4H3,(H,16,17,20)/t10-/m1/s1.
What are the key properties of (3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide?
(3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 94168321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).