1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide

C15H23N5O3 — CID 129488706

IUPAC1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn([C@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)n1
InChIInChI=1S/C15H23N5O3/c16-14(22)15-17-10-20(18-15)11-4-3-6-19(9-11)13(21)8-12-5-1-2-7-23-12/h10-12H,1-9H2,(H2,16,22)/t11-,12-/m0/s1
InChIKeyKWESRHSRSSPEQI-RYUDHWBXSA-N
MW321.38 g/mol
LogP0.50
Rot. Bonds4

About 1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide

1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 129488706) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID129488706
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn([C@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)n1
InChIInChI=1S/C15H23N5O3/c16-14(22)15-17-10-20(18-15)11-4-3-6-19(9-11)13(21)8-12-5-1-2-7-23-12/h10-12H,1-9H2,(H2,16,22)/t11-,12-/m0/s1
InChIKeyKWESRHSRSSPEQI-RYUDHWBXSA-N
XLogP0.50
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490234
1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490005
1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488947
1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488651
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160580
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 107109025
(3R)-3-(3-carbamoyl-1,2,4-triazol-1-yl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
CID 129488934
1-(3-bromopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 80660576
1-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490144
1-[2-(oxolan-2-yl)acetyl]piperidine-3-sulfonamide
CID 64867820
3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid
CID 124517290
2-(oxan-2-yl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120994581

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 129488706) is 1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn([C@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)n1.
What is the InChIKey of 1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is KWESRHSRSSPEQI-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H23N5O3/c16-14(22)15-17-10-20(18-15)11-4-3-6-19(9-11)13(21)8-12-5-1-2-7-23-12/h10-12H,1-9H2,(H2,16,22)/t11-,12-/m0/s1.
What are the key properties of 1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 129488706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).