N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide

C15H26N6O — CID 46984465

IUPACN-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCCCC2CN2CCCC2)nn1C
InChIInChI=1S/C15H26N6O/c1-12-16-14(18-19(12)2)17-15(22)21-10-4-3-7-13(21)11-20-8-5-6-9-20/h13H,3-11H2,1-2H3,(H,17,18,22)
InChIKeyJZJHROWXLVOXSQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.61
Rot. Bonds3

About N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide

N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 46984465) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
PubChem CID46984465
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCCCC2CN2CCCC2)nn1C
InChIInChI=1S/C15H26N6O/c1-12-16-14(18-19(12)2)17-15(22)21-10-4-3-7-13(21)11-20-8-5-6-9-20/h13H,3-11H2,1-2H3,(H,17,18,22)
InChIKeyJZJHROWXLVOXSQ-UHFFFAOYSA-N
XLogP1.61
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide (CID 46984465) is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide is Cc1nc(NC(=O)N2CCCCC2CN2CCCC2)nn1C.
What is the InChIKey of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is JZJHROWXLVOXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-12-16-14(18-19(12)2)17-15(22)21-10-4-3-7-13(21)11-20-8-5-6-9-20/h13H,3-11H2,1-2H3,(H,17,18,22).
What are the key properties of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 46984465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).