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

C25H32N4O3 — CID 53098558

IUPACN-[(3-methoxyphenyl)methyl]-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCC(N3CCN(Cc4ccc(C)cc4)C3=O)CC2)c1
InChIInChI=1S/C25H32N4O3/c1-19-6-8-20(9-7-19)18-28-14-15-29(25(28)31)22-10-12-27(13-11-22)24(30)26-17-21-4-3-5-23(16-21)32-2/h3-9,16,22H,10-15,17-18H2,1-2H3,(H,26,30)
InChIKeyDSJGVLFUIZZIEB-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.62
Rot. Bonds6

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

N-[(3-methoxyphenyl)methyl]-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (PubChem CID 53098558) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
PubChem CID53098558
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCC(N3CCN(Cc4ccc(C)cc4)C3=O)CC2)c1
InChIInChI=1S/C25H32N4O3/c1-19-6-8-20(9-7-19)18-28-14-15-29(25(28)31)22-10-12-27(13-11-22)24(30)26-17-21-4-3-5-23(16-21)32-2/h3-9,16,22H,10-15,17-18H2,1-2H3,(H,26,30)
InChIKeyDSJGVLFUIZZIEB-UHFFFAOYSA-N
XLogP3.62
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (CID 53098558) is N-[(3-methoxyphenyl)methyl]-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is COc1cccc(CNC(=O)N2CCC(N3CCN(Cc4ccc(C)cc4)C3=O)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The InChIKey is DSJGVLFUIZZIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-19-6-8-20(9-7-19)18-28-14-15-29(25(28)31)22-10-12-27(13-11-22)24(30)26-17-21-4-3-5-23(16-21)32-2/h3-9,16,22H,10-15,17-18H2,1-2H3,(H,26,30).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
N-[(3-methoxyphenyl)methyl]-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53098558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).