N-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide

C15H25N5O2 — CID 51081031

IUPACN-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(C(=O)CCn2cncn2)C1
InChIInChI=1S/C15H25N5O2/c1-12(2)8-17-15(22)13-4-3-6-19(9-13)14(21)5-7-20-11-16-10-18-20/h10-13H,3-9H2,1-2H3,(H,17,22)
InChIKeyQZJHSWIKRCTDOG-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.68
Rot. Bonds6

About N-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide

N-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 51081031) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide
PubChem CID51081031
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(C(=O)CCn2cncn2)C1
InChIInChI=1S/C15H25N5O2/c1-12(2)8-17-15(22)13-4-3-6-19(9-13)14(21)5-7-20-11-16-10-18-20/h10-13H,3-9H2,1-2H3,(H,17,22)
InChIKeyQZJHSWIKRCTDOG-UHFFFAOYSA-N
XLogP0.68
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide (CID 51081031) is N-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide is CC(C)CNC(=O)C1CCCN(C(=O)CCn2cncn2)C1.
What is the InChIKey of N-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is QZJHSWIKRCTDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-12(2)8-17-15(22)13-4-3-6-19(9-13)14(21)5-7-20-11-16-10-18-20/h10-13H,3-9H2,1-2H3,(H,17,22).
What are the key properties of N-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide?
N-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 51081031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).