5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide

C19H34N6O — CID 119863571

IUPAC5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)(C)N2CCCC(C)C2)nnn1C1CCNCC1
InChIInChI=1S/C19H34N6O/c1-14-6-5-11-24(12-14)19(3,4)13-21-18(26)17-15(2)25(23-22-17)16-7-9-20-10-8-16/h14,16,20H,5-13H2,1-4H3,(H,21,26)
InChIKeyMEPWFYAQXAAJFX-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.75
Rot. Bonds5

About 5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119863571) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119863571
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC Name5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)(C)N2CCCC(C)C2)nnn1C1CCNCC1
InChIInChI=1S/C19H34N6O/c1-14-6-5-11-24(12-14)19(3,4)13-21-18(26)17-15(2)25(23-22-17)16-7-9-20-10-8-16/h14,16,20H,5-13H2,1-4H3,(H,21,26)
InChIKeyMEPWFYAQXAAJFX-UHFFFAOYSA-N
XLogP1.75
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119863571) is 5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NCC(C)(C)N2CCCC(C)C2)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is MEPWFYAQXAAJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c1-14-6-5-11-24(12-14)19(3,4)13-21-18(26)17-15(2)25(23-22-17)16-7-9-20-10-8-16/h14,16,20H,5-13H2,1-4H3,(H,21,26).
What are the key properties of 5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119863571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).