5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide

C16H29N5O — CID 119730921

IUPAC5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(CC(C)C)C(C)C)nnn1C1CCNCC1
InChIInChI=1S/C16H29N5O/c1-11(2)10-20(12(3)4)16(22)15-13(5)21(19-18-15)14-6-8-17-9-7-14/h11-12,14,17H,6-10H2,1-5H3
InChIKeyDEGGMODXHOGLDI-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.02
Rot. Bonds5

About 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide

5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide (PubChem CID 119730921) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
PubChem CID119730921
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(CC(C)C)C(C)C)nnn1C1CCNCC1
InChIInChI=1S/C16H29N5O/c1-11(2)10-20(12(3)4)16(22)15-13(5)21(19-18-15)14-6-8-17-9-7-14/h11-12,14,17H,6-10H2,1-5H3
InChIKeyDEGGMODXHOGLDI-UHFFFAOYSA-N
XLogP2.02
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide (CID 119730921) is 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide is Cc1c(C(=O)N(CC(C)C)C(C)C)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is DEGGMODXHOGLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-11(2)10-20(12(3)4)16(22)15-13(5)21(19-18-15)14-6-8-17-9-7-14/h11-12,14,17H,6-10H2,1-5H3.
What are the key properties of 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide?
5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 119730921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).