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

C17H26N6O — CID 86769630

IUPAC3-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCCC(Cc3nccn3C)C2)cn1
InChIInChI=1S/C17H26N6O/c1-21-9-7-18-16(21)10-14-4-3-8-23(13-14)17(24)19-6-5-15-11-20-22(2)12-15/h7,9,11-12,14H,3-6,8,10,13H2,1-2H3,(H,19,24)
InChIKeyFRKQOMMGNMCUAH-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.36
Rot. Bonds5

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

3-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide (PubChem CID 86769630) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
PubChem CID86769630
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name3-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCCC(Cc3nccn3C)C2)cn1
InChIInChI=1S/C17H26N6O/c1-21-9-7-18-16(21)10-14-4-3-8-23(13-14)17(24)19-6-5-15-11-20-22(2)12-15/h7,9,11-12,14H,3-6,8,10,13H2,1-2H3,(H,19,24)
InChIKeyFRKQOMMGNMCUAH-UHFFFAOYSA-N
XLogP1.36
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide (CID 86769630) is 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide is Cn1cc(CCNC(=O)N2CCCC(Cc3nccn3C)C2)cn1.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is FRKQOMMGNMCUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-21-9-7-18-16(21)10-14-4-3-8-23(13-14)17(24)19-6-5-15-11-20-22(2)12-15/h7,9,11-12,14H,3-6,8,10,13H2,1-2H3,(H,19,24).
What are the key properties of 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
3-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 86769630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).