1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide

C18H25N5O — CID 162661301

IUPAC1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NC3CCN(C(C)C)CC3)nn2)cc1
InChIInChI=1S/C18H25N5O/c1-13(2)22-10-8-15(9-11-22)19-18(24)17-12-23(21-20-17)16-6-4-14(3)5-7-16/h4-7,12-13,15H,8-11H2,1-3H3,(H,19,24)
InChIKeyOKUCPNDUEWMUHK-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.18
Rot. Bonds4

About 1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide

1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide (PubChem CID 162661301) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
PubChem CID162661301
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NC3CCN(C(C)C)CC3)nn2)cc1
InChIInChI=1S/C18H25N5O/c1-13(2)22-10-8-15(9-11-22)19-18(24)17-12-23(21-20-17)16-6-4-14(3)5-7-16/h4-7,12-13,15H,8-11H2,1-3H3,(H,19,24)
InChIKeyOKUCPNDUEWMUHK-UHFFFAOYSA-N
XLogP2.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide (CID 162661301) is 1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NC3CCN(C(C)C)CC3)nn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide?
The InChIKey is OKUCPNDUEWMUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13(2)22-10-8-15(9-11-22)19-18(24)17-12-23(21-20-17)16-6-4-14(3)5-7-16/h4-7,12-13,15H,8-11H2,1-3H3,(H,19,24).
What are the key properties of 1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide?
1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 162661301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).