N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide

C21H29N5O — CID 127396636

IUPACN-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NC3CCN(C4CCCCC4)CC3)nn2)cc1
InChIInChI=1S/C21H29N5O/c1-16-7-9-19(10-8-16)26-15-20(23-24-26)21(27)22-17-11-13-25(14-12-17)18-5-3-2-4-6-18/h7-10,15,17-18H,2-6,11-14H2,1H3,(H,22,27)
InChIKeyOWOUFCRMNVUVLA-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.10
Rot. Bonds4

About N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide

N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 127396636) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID127396636
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NC3CCN(C4CCCCC4)CC3)nn2)cc1
InChIInChI=1S/C21H29N5O/c1-16-7-9-19(10-8-16)26-15-20(23-24-26)21(27)22-17-11-13-25(14-12-17)18-5-3-2-4-6-18/h7-10,15,17-18H,2-6,11-14H2,1H3,(H,22,27)
InChIKeyOWOUFCRMNVUVLA-UHFFFAOYSA-N
XLogP3.10
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide (CID 127396636) is N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NC3CCN(C4CCCCC4)CC3)nn2)cc1.
What is the InChIKey of N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is OWOUFCRMNVUVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-16-7-9-19(10-8-16)26-15-20(23-24-26)21(27)22-17-11-13-25(14-12-17)18-5-3-2-4-6-18/h7-10,15,17-18H,2-6,11-14H2,1H3,(H,22,27).
What are the key properties of N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide?
N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 127396636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).