4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one

C27H33N5O4 — CID 134791901

IUPAC4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)C3)NC2=O)cc1
InChIInChI=1S/C27H33N5O4/c1-36-23-9-7-22(8-10-23)32-19-24(28-27(32)35)26(34)31-12-11-21(18-31)25(33)30-15-13-29(14-16-30)17-20-5-3-2-4-6-20/h2-10,21,24H,11-19H2,1H3,(H,28,35)
InChIKeyRDXNTGGVTHWCAF-UHFFFAOYSA-N
MW491.59 g/mol
LogP1.79
Rot. Bonds6

About 4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one

4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one (PubChem CID 134791901) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is 4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one
PubChem CID134791901
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Name4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)C3)NC2=O)cc1
InChIInChI=1S/C27H33N5O4/c1-36-23-9-7-22(8-10-23)32-19-24(28-27(32)35)26(34)31-12-11-21(18-31)25(33)30-15-13-29(14-16-30)17-20-5-3-2-4-6-20/h2-10,21,24H,11-19H2,1H3,(H,28,35)
InChIKeyRDXNTGGVTHWCAF-UHFFFAOYSA-N
XLogP1.79
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 134793483
N-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 134795458
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
4-(4-benzylpiperidine-1-carbonyl)-1-phenylimidazolidin-2-one
CID 134795753
(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585
1-(4-methoxyphenyl)-4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 55567255
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 134793850
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482
4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17082154
1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46779037
(E)-1-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 46524510

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one?
The IUPAC name of 4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one (CID 134791901) is 4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one?
The canonical SMILES for 4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one is COc1ccc(N2CC(C(=O)N3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)C3)NC2=O)cc1.
What is the InChIKey of 4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one?
The InChIKey is RDXNTGGVTHWCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-36-23-9-7-22(8-10-23)32-19-24(28-27(32)35)26(34)31-12-11-21(18-31)25(33)30-15-13-29(14-16-30)17-20-5-3-2-4-6-20/h2-10,21,24H,11-19H2,1H3,(H,28,35).
What are the key properties of 4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one?
4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one has a molecular weight of 491.59 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 134791901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).