1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide

C18H28N4O2 — CID 91923847

IUPAC1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2ncc(C)n2C2CCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-13-12-20-17(22(13)16-4-3-5-16)6-9-19-18(24)15-7-10-21(11-8-15)14(2)23/h12,15-16H,3-11H2,1-2H3,(H,19,24)
InChIKeyNKJCAZFXZHLOFZ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.83
Rot. Bonds5

About 1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide

1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 91923847) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID91923847
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2ncc(C)n2C2CCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-13-12-20-17(22(13)16-4-3-5-16)6-9-19-18(24)15-7-10-21(11-8-15)14(2)23/h12,15-16H,3-11H2,1-2H3,(H,19,24)
InChIKeyNKJCAZFXZHLOFZ-UHFFFAOYSA-N
XLogP1.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide (CID 91923847) is 1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCCc2ncc(C)n2C2CCC2)CC1.
What is the InChIKey of 1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is NKJCAZFXZHLOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-12-20-17(22(13)16-4-3-5-16)6-9-19-18(24)15-7-10-21(11-8-15)14(2)23/h12,15-16H,3-11H2,1-2H3,(H,19,24).
What are the key properties of 1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide?
1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 91923847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).