5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

C19H33N5O — CID 119812287

IUPAC5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(CC(C)C)CCCC2)nnn1C1CCNCC1
InChIInChI=1S/C19H33N5O/c1-14(2)12-19(8-4-5-9-19)13-21-18(25)17-15(3)24(23-22-17)16-6-10-20-11-7-16/h14,16,20H,4-13H2,1-3H3,(H,21,25)
InChIKeyXMKIDFJMMODEHT-UHFFFAOYSA-N
MW347.51 g/mol
LogP2.85
Rot. Bonds6

About 5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119812287) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119812287
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(CC(C)C)CCCC2)nnn1C1CCNCC1
InChIInChI=1S/C19H33N5O/c1-14(2)12-19(8-4-5-9-19)13-21-18(25)17-15(3)24(23-22-17)16-6-10-20-11-7-16/h14,16,20H,4-13H2,1-3H3,(H,21,25)
InChIKeyXMKIDFJMMODEHT-UHFFFAOYSA-N
XLogP2.85
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119812287) is 5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NCC2(CC(C)C)CCCC2)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is XMKIDFJMMODEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-14(2)12-19(8-4-5-9-19)13-21-18(25)17-15(3)24(23-22-17)16-6-10-20-11-7-16/h14,16,20H,4-13H2,1-3H3,(H,21,25).
What are the key properties of 5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 347.51 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119812287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).