N-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide

C19H33N5O3 — CID 121115301

IUPACN-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESCCn1c(C2CCN(C(=O)NC3CCCCC3)CC2)nn(CCOC)c1=O
InChIInChI=1S/C19H33N5O3/c1-3-23-17(21-24(19(23)26)13-14-27-2)15-9-11-22(12-10-15)18(25)20-16-7-5-4-6-8-16/h15-16H,3-14H2,1-2H3,(H,20,25)
InChIKeyFDEAHMNHFVKNTR-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.93
Rot. Bonds6

About N-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide

N-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide (PubChem CID 121115301) has the molecular formula C19H33N5O3 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
PubChem CID121115301
Molecular FormulaC19H33N5O3
Molecular Weight379.51 g/mol
Exact Mass379.26
IUPAC NameN-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESCCn1c(C2CCN(C(=O)NC3CCCCC3)CC2)nn(CCOC)c1=O
InChIInChI=1S/C19H33N5O3/c1-3-23-17(21-24(19(23)26)13-14-27-2)15-9-11-22(12-10-15)18(25)20-16-7-5-4-6-8-16/h15-16H,3-14H2,1-2H3,(H,20,25)
InChIKeyFDEAHMNHFVKNTR-UHFFFAOYSA-N
XLogP1.93
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide (CID 121115301) is N-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide is CCn1c(C2CCN(C(=O)NC3CCCCC3)CC2)nn(CCOC)c1=O.
What is the InChIKey of N-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The InChIKey is FDEAHMNHFVKNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O3/c1-3-23-17(21-24(19(23)26)13-14-27-2)15-9-11-22(12-10-15)18(25)20-16-7-5-4-6-8-16/h15-16H,3-14H2,1-2H3,(H,20,25).
What are the key properties of N-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
N-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 121115301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).