cyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C16H26N4O — CID 53192128

IUPACcyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCc1nc(C2CCCN(C(=O)C3CCCCC3)C2)n[nH]1
InChIInChI=1S/C16H26N4O/c1-2-14-17-15(19-18-14)13-9-6-10-20(11-13)16(21)12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H,17,18,19)
InChIKeyKVUZAHGCTYBNGU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.65
Rot. Bonds3

About cyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

cyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192128) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is cyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192128
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Namecyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCc1nc(C2CCCN(C(=O)C3CCCCC3)C2)n[nH]1
InChIInChI=1S/C16H26N4O/c1-2-14-17-15(19-18-14)13-9-6-10-20(11-13)16(21)12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H,17,18,19)
InChIKeyKVUZAHGCTYBNGU-UHFFFAOYSA-N
XLogP2.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[1-(cyclohexylmethyl)piperidin-3-yl]propanamide
CID 56917087
1-ethyl-3-methyl-N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)ethyl]-3-piperidinecarboxamide
CID 72896844
4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[(3R*,5R*)-5-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]carbonyl}piperidine
CID 72841531
cyclobutyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 110196457
2-Cyclopentyl-1-[3-(5-cyclopropyl-4H-1,2,4-triazol-3-YL)piperidino]-1-ethanone
CID 53192195
cyclopentyl[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192204
Cyclohexyl[3-(5-cyclopropyl-4H-1,2,4-triazol-3-YL)piperidino]methanone
CID 53192219
2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 87051832
1-Cyclopropanecarbonyl-4-[(5-cyclopropyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 91909437
2-cyclopentyl-1-{3-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidinyl}-1-ethanone
CID 91914622
3-cyclopentyl-1-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 91920138
cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 110194773

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192128) is cyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CCc1nc(C2CCCN(C(=O)C3CCCCC3)C2)n[nH]1.
What is the InChIKey of cyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is KVUZAHGCTYBNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-14-17-15(19-18-14)13-9-6-10-20(11-13)16(21)12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H,17,18,19).
What are the key properties of cyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
cyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).