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

C18H29N5O3 — CID 72857355

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)NCc2nncn2C2CCCCC2)C1
InChIInChI=1S/C18H29N5O3/c1-26-12-17(24)22-9-5-6-14(11-22)18(25)19-10-16-21-20-13-23(16)15-7-3-2-4-8-15/h13-15H,2-12H2,1H3,(H,19,25)
InChIKeyOQWKCQXMSXERRL-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.28
Rot. Bonds6

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

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide (PubChem CID 72857355) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
PubChem CID72857355
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)NCc2nncn2C2CCCCC2)C1
InChIInChI=1S/C18H29N5O3/c1-26-12-17(24)22-9-5-6-14(11-22)18(25)19-10-16-21-20-13-23(16)15-7-3-2-4-8-15/h13-15H,2-12H2,1H3,(H,19,25)
InChIKeyOQWKCQXMSXERRL-UHFFFAOYSA-N
XLogP1.28
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide (CID 72857355) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide is COCC(=O)N1CCCC(C(=O)NCc2nncn2C2CCCCC2)C1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The InChIKey is OQWKCQXMSXERRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-26-12-17(24)22-9-5-6-14(11-22)18(25)19-10-16-21-20-13-23(16)15-7-3-2-4-8-15/h13-15H,2-12H2,1H3,(H,19,25).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 72857355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).