2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone

C14H22N4O2 — CID 116567860

IUPAC2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
SMILESO=C(CC1CCOCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H22N4O2/c19-14(9-11-3-7-20-8-4-11)13-10-18(17-16-13)12-1-5-15-6-2-12/h10-12,15H,1-9H2
InChIKeyPCUPUUYSPHJDRO-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.20
Rot. Bonds4

About 2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone

2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone (PubChem CID 116567860) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
PubChem CID116567860
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
SMILESO=C(CC1CCOCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H22N4O2/c19-14(9-11-3-7-20-8-4-11)13-10-18(17-16-13)12-1-5-15-6-2-12/h10-12,15H,1-9H2
InChIKeyPCUPUUYSPHJDRO-UHFFFAOYSA-N
XLogP1.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119830188
2-(4-bromophenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567853
2-(4-methylphenyl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone
CID 116567852
3-(1-methylpyrazol-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)propan-1-one
CID 103023689
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119766778
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63954765
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119853215
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone?
The IUPAC name of 2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone (CID 116567860) is 2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone.
What is the SMILES notation for 2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone?
The canonical SMILES for 2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone is O=C(CC1CCOCC1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone?
The InChIKey is PCUPUUYSPHJDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-14(9-11-3-7-20-8-4-11)13-10-18(17-16-13)12-1-5-15-6-2-12/h10-12,15H,1-9H2.
What are the key properties of 2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone?
2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone has a molecular weight of 278.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(1-piperidin-4-yltriazol-4-yl)ethanone is sourced from PubChem (CID 116567860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).