4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide

C24H30N4O3 — CID 53098616

IUPAC4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCC(N2CCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C24H30N4O3/c1-18-8-9-22(31-2)21(16-18)25-23(29)26-12-10-20(11-13-26)28-15-14-27(24(28)30)17-19-6-4-3-5-7-19/h3-9,16,20H,10-15,17H2,1-2H3,(H,25,29)
InChIKeyKJENDHKOQWUSED-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.94
Rot. Bonds5

About 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide

4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide (PubChem CID 53098616) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
PubChem CID53098616
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCC(N2CCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C24H30N4O3/c1-18-8-9-22(31-2)21(16-18)25-23(29)26-12-10-20(11-13-26)28-15-14-27(24(28)30)17-19-6-4-3-5-7-19/h3-9,16,20H,10-15,17H2,1-2H3,(H,25,29)
InChIKeyKJENDHKOQWUSED-UHFFFAOYSA-N
XLogP3.94
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide (CID 53098616) is 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide is COc1ccc(C)cc1NC(=O)N1CCC(N2CCN(Cc3ccccc3)C2=O)CC1.
What is the InChIKey of 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
The InChIKey is KJENDHKOQWUSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-18-8-9-22(31-2)21(16-18)25-23(29)26-12-10-20(11-13-26)28-15-14-27(24(28)30)17-19-6-4-3-5-7-19/h3-9,16,20H,10-15,17H2,1-2H3,(H,25,29).
What are the key properties of 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 53098616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).