1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide

C16H26N4O2 — CID 56756908

IUPAC1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2cncn2CC(C)C)CC1
InChIInChI=1S/C16H26N4O2/c1-12(2)10-20-11-17-8-15(20)9-18-16(22)14-4-6-19(7-5-14)13(3)21/h8,11-12,14H,4-7,9-10H2,1-3H3,(H,18,22)
InChIKeyJTYZKSAMYWJDCX-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.41
Rot. Bonds5

About 1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide

1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 56756908) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide
PubChem CID56756908
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2cncn2CC(C)C)CC1
InChIInChI=1S/C16H26N4O2/c1-12(2)10-20-11-17-8-15(20)9-18-16(22)14-4-6-19(7-5-14)13(3)21/h8,11-12,14H,4-7,9-10H2,1-3H3,(H,18,22)
InChIKeyJTYZKSAMYWJDCX-UHFFFAOYSA-N
XLogP1.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide (CID 56756908) is 1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2cncn2CC(C)C)CC1.
What is the InChIKey of 1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is JTYZKSAMYWJDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(2)10-20-11-17-8-15(20)9-18-16(22)14-4-6-19(7-5-14)13(3)21/h8,11-12,14H,4-7,9-10H2,1-3H3,(H,18,22).
What are the key properties of 1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide?
1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56756908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).