2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one

C16H26N4O — CID 79541812

IUPAC2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
SMILESCCn1ncnc1CN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C16H26N4O/c1-2-20-16(17-12-18-20)11-19-10-6-5-8-14(19)13-7-3-4-9-15(13)21/h12-14H,2-11H2,1H3
InChIKeyULERVIBAZJPTBC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.41
Rot. Bonds4

About 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one

2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one (PubChem CID 79541812) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
PubChem CID79541812
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
SMILESCCn1ncnc1CN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C16H26N4O/c1-2-20-16(17-12-18-20)11-19-10-6-5-8-14(19)13-7-3-4-9-15(13)21/h12-14H,2-11H2,1H3
InChIKeyULERVIBAZJPTBC-UHFFFAOYSA-N
XLogP2.41
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79535788
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79536816
methyl (2R)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxylate
CID 113331160
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372100
2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553267
2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549276
2-(1-ethylpyrrolidin-2-yl)cyclopentan-1-one
CID 79543714
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 82866936
2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79540355
2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79553266
2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 79536007
2-(1-octylpiperidin-2-yl)cyclohexan-1-one
CID 79539887

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one (CID 79541812) is 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one is CCn1ncnc1CN1CCCCC1C1CCCCC1=O.
What is the InChIKey of 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The InChIKey is ULERVIBAZJPTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-20-16(17-12-18-20)11-19-10-6-5-8-14(19)13-7-3-4-9-15(13)21/h12-14H,2-11H2,1H3.
What are the key properties of 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79541812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).