1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide

C18H31N5O — CID 72888150

IUPAC1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H31N5O/c1-3-23-17(19-13-20-23)14(2)21-18(24)15-9-11-22(12-10-15)16-7-5-4-6-8-16/h13-16H,3-12H2,1-2H3,(H,21,24)
InChIKeyAGCBBFTYIGPHHT-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.52
Rot. Bonds5

About 1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide

1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 72888150) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID72888150
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H31N5O/c1-3-23-17(19-13-20-23)14(2)21-18(24)15-9-11-22(12-10-15)16-7-5-4-6-8-16/h13-16H,3-12H2,1-2H3,(H,21,24)
InChIKeyAGCBBFTYIGPHHT-UHFFFAOYSA-N
XLogP2.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (CID 72888150) is 1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is CCn1ncnc1C(C)NC(=O)C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is AGCBBFTYIGPHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-3-23-17(19-13-20-23)14(2)21-18(24)15-9-11-22(12-10-15)16-7-5-4-6-8-16/h13-16H,3-12H2,1-2H3,(H,21,24).
What are the key properties of 1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 72888150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).