N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide

C19H31N5O — CID 119733287

IUPACN-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C2CCC(C)CC2)C2CC2)nnn1C1CCNCC1
InChIInChI=1S/C19H31N5O/c1-13-3-5-15(6-4-13)23(16-7-8-16)19(25)18-14(2)24(22-21-18)17-9-11-20-12-10-17/h13,15-17,20H,3-12H2,1-2H3
InChIKeyNMGYJJQRNSSFLB-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.69
Rot. Bonds4

About N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide

N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119733287) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119733287
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C2CCC(C)CC2)C2CC2)nnn1C1CCNCC1
InChIInChI=1S/C19H31N5O/c1-13-3-5-15(6-4-13)23(16-7-8-16)19(25)18-14(2)24(22-21-18)17-9-11-20-12-10-17/h13,15-17,20H,3-12H2,1-2H3
InChIKeyNMGYJJQRNSSFLB-UHFFFAOYSA-N
XLogP2.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119733287) is N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)N(C2CCC(C)CC2)C2CC2)nnn1C1CCNCC1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is NMGYJJQRNSSFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-13-3-5-15(6-4-13)23(16-7-8-16)19(25)18-14(2)24(22-21-18)17-9-11-20-12-10-17/h13,15-17,20H,3-12H2,1-2H3.
What are the key properties of N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119733287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).