4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide

C24H30N4O3 — CID 53098620

IUPAC4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)c1
InChIInChI=1S/C24H30N4O3/c1-31-22-9-5-8-20(16-22)17-25-23(29)26-12-10-21(11-13-26)28-15-14-27(24(28)30)18-19-6-3-2-4-7-19/h2-9,16,21H,10-15,17-18H2,1H3,(H,25,29)
InChIKeyIWBVWLUWGYVTRA-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.31
Rot. Bonds6

About 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide

4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 53098620) 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-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID53098620
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)c1
InChIInChI=1S/C24H30N4O3/c1-31-22-9-5-8-20(16-22)17-25-23(29)26-12-10-21(11-13-26)28-15-14-27(24(28)30)18-19-6-3-2-4-7-19/h2-9,16,21H,10-15,17-18H2,1H3,(H,25,29)
InChIKeyIWBVWLUWGYVTRA-UHFFFAOYSA-N
XLogP3.31
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.31
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-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 53098620) is 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1cccc(CNC(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)c1.
What is the InChIKey of 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is IWBVWLUWGYVTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-31-22-9-5-8-20(16-22)17-25-23(29)26-12-10-21(11-13-26)28-15-14-27(24(28)30)18-19-6-3-2-4-7-19/h2-9,16,21H,10-15,17-18H2,1H3,(H,25,29).
What are the key properties of 4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.31, 6 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-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 53098620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).