1-cyclohexyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide

C17H29N5O — CID 42240642

IUPAC1-cyclohexyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2cn(C3CCCCC3)nn2)CC1
InChIInChI=1S/C17H29N5O/c1-2-10-21-11-8-14(9-12-21)18-17(23)16-13-22(20-19-16)15-6-4-3-5-7-15/h13-15H,2-12H2,1H3,(H,18,23)
InChIKeyDNSHZDTYCKFLSD-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.39
Rot. Bonds5

About 1-cyclohexyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide

1-cyclohexyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide (PubChem CID 42240642) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-cyclohexyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
PubChem CID42240642
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name1-cyclohexyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
SMILESCCCN1CCC(NC(=O)c2cn(C3CCCCC3)nn2)CC1
InChIInChI=1S/C17H29N5O/c1-2-10-21-11-8-14(9-12-21)18-17(23)16-13-22(20-19-16)15-6-4-3-5-7-15/h13-15H,2-12H2,1H3,(H,18,23)
InChIKeyDNSHZDTYCKFLSD-UHFFFAOYSA-N
XLogP2.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.39
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-propylpiperidin-4-yl)triazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide (CID 42240642) is 1-cyclohexyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide is CCCN1CCC(NC(=O)c2cn(C3CCCCC3)nn2)CC1.
What is the InChIKey of 1-cyclohexyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide?
The InChIKey is DNSHZDTYCKFLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-2-10-21-11-8-14(9-12-21)18-17(23)16-13-22(20-19-16)15-6-4-3-5-7-15/h13-15H,2-12H2,1H3,(H,18,23).
What are the key properties of 1-cyclohexyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide?
1-cyclohexyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.39, 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-propylpiperidin-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 42240642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).