1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide

C14H21N5O3 — CID 129490234

IUPAC1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1
InChIInChI=1S/C14H21N5O3/c1-9-4-6-22-11(9)14(21)18-5-2-3-10(7-18)19-8-16-13(17-19)12(15)20/h8-11H,2-7H2,1H3,(H2,15,20)/t9-,10+,11+/m1/s1
InChIKeyWLHDTPHQKNMMQC-VWYCJHECSA-N
MW307.35 g/mol
LogP-0.03
Rot. Bonds3

About 1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide

1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 129490234) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID129490234
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1
InChIInChI=1S/C14H21N5O3/c1-9-4-6-22-11(9)14(21)18-5-2-3-10(7-18)19-8-16-13(17-19)12(15)20/h8-11H,2-7H2,1H3,(H2,15,20)/t9-,10+,11+/m1/s1
InChIKeyWLHDTPHQKNMMQC-VWYCJHECSA-N
XLogP-0.03
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488706
1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488947
(3R)-3-(3-carbamoyl-1,2,4-triazol-1-yl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
CID 129488934
1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488651
1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490005
1-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490144
[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone
CID 129340377
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxylate
CID 171137586
3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one
CID 114499767
1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488779
1-[(3S)-1-(2-cyclopropylethylsulfonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488769
(3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 103575749

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 129490234) is 1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide is C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1.
What is the InChIKey of 1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is WLHDTPHQKNMMQC-VWYCJHECSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-9-4-6-22-11(9)14(21)18-5-2-3-10(7-18)19-8-16-13(17-19)12(15)20/h8-11H,2-7H2,1H3,(H2,15,20)/t9-,10+,11+/m1/s1.
What are the key properties of 1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 129490234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).