[4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone

C16H26N4O — CID 138021054

IUPAC[4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone
SMILESCn1ncnc1C(=O)N1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C16H26N4O/c1-19-15(17-12-18-19)16(21)20-9-7-14(8-10-20)11-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3
InChIKeyZJXQTBSYZOGHNR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.64
Rot. Bonds3

About [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone

[4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 138021054) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID138021054
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone
SMILESCn1ncnc1C(=O)N1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C16H26N4O/c1-19-15(17-12-18-19)16(21)20-9-7-14(8-10-20)11-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3
InChIKeyZJXQTBSYZOGHNR-UHFFFAOYSA-N
XLogP2.64
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[2-(2-Fluoroethyl)-1,2,4-triazol-3-yl]methyl]-1,4-diazaspiro[5.5]undecan-1-yl]ethanone
CID 121536626
1-Azaspiro[4.5]decan-1-yl-(1-tert-butyl-1,2,4-triazol-3-yl)methanone
CID 128471616
2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-(2-cyclohexylethyl)acetamide
CID 136548229
N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 164630970
(1-Methyl-1,2,4-triazol-3-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 128454781
(1-methyl-1,2,4-triazol-3-yl)-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 129345082
(1-methyl-1,2,4-triazol-3-yl)-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 129345083
[4-(Cyclohexylmethyl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]methanone
CID 153845324
2-(3-cyano-1,2,4-triazol-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 25962054
11-(Cyclohexylmethyl)-1,4,5,7,8,11-hexazatricyclo[7.4.0.03,7]trideca-3,5,8-trien-2-one
CID 118966790
1-(Cyclohexylmethyl)-1,2,4-triazole-3-carboxamide
CID 145225078
4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
CID 9406232

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone (CID 138021054) is [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone is Cn1ncnc1C(=O)N1CCC(CC2CCCCC2)CC1.
What is the InChIKey of [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is ZJXQTBSYZOGHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19-15(17-12-18-19)16(21)20-9-7-14(8-10-20)11-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3.
What are the key properties of [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone?
[4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethyl)piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 138021054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).