N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C15H23N7O — CID 71892885

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCCC(c3nncn3C)C2)cn1
InChIInChI=1S/C15H23N7O/c1-20-11-17-19-14(20)13-4-3-7-22(10-13)15(23)16-6-5-12-8-18-21(2)9-12/h8-9,11,13H,3-7,10H2,1-2H3,(H,16,23)
InChIKeyFIXRSYNSBHGGEV-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.68
Rot. Bonds4

About N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 71892885) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID71892885
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCCC(c3nncn3C)C2)cn1
InChIInChI=1S/C15H23N7O/c1-20-11-17-19-14(20)13-4-3-7-22(10-13)15(23)16-6-5-12-8-18-21(2)9-12/h8-9,11,13H,3-7,10H2,1-2H3,(H,16,23)
InChIKeyFIXRSYNSBHGGEV-UHFFFAOYSA-N
XLogP0.68
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 71892885) is N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cn1cc(CCNC(=O)N2CCCC(c3nncn3C)C2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is FIXRSYNSBHGGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-20-11-17-19-14(20)13-4-3-7-22(10-13)15(23)16-6-5-12-8-18-21(2)9-12/h8-9,11,13H,3-7,10H2,1-2H3,(H,16,23).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71892885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).