1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one

C22H34N4O — CID 95047000

IUPAC1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one
SMILESCCC[C@@H]1CCN(C2CCN(c3cccc(N4CCN(C)C4=O)c3)CC2)C1
InChIInChI=1S/C22H34N4O/c1-3-5-18-8-11-25(17-18)19-9-12-24(13-10-19)20-6-4-7-21(16-20)26-15-14-23(2)22(26)27/h4,6-7,16,18-19H,3,5,8-15,17H2,1-2H3/t18-/m1/s1
InChIKeyORIIFVYIEXDAIA-GOSISDBHSA-N
MW370.54 g/mol
LogP3.65
Rot. Bonds5

About 1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one

1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one (PubChem CID 95047000) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one
PubChem CID95047000
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one
SMILESCCC[C@@H]1CCN(C2CCN(c3cccc(N4CCN(C)C4=O)c3)CC2)C1
InChIInChI=1S/C22H34N4O/c1-3-5-18-8-11-25(17-18)19-9-12-24(13-10-19)20-6-4-7-21(16-20)26-15-14-23(2)22(26)27/h4,6-7,16,18-19H,3,5,8-15,17H2,1-2H3/t18-/m1/s1
InChIKeyORIIFVYIEXDAIA-GOSISDBHSA-N
XLogP3.65
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(cycloheptylamino)piperidin-1-yl]phenyl]-3-methylimidazolidin-2-one
CID 46982524
1-methyl-3-[3-[4-[methyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]phenyl]imidazolidin-2-one
CID 29170396
1-(3-methylsulfonylphenyl)-3-propylpyrrolidine
CID 10445709
N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 104973734
1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one
CID 126760369
3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 66656690
[3-(4-propylazepan-1-yl)phenyl]methanamine
CID 102814056
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093
[1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine
CID 117006052
1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one
CID 117431163
2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol
CID 83981690
3-[1-(hexylamino)-4-(3-propylpyrrolidin-1-yl)cyclohexyl]phenol
CID 70507482

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one (CID 95047000) is 1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one is CCC[C@@H]1CCN(C2CCN(c3cccc(N4CCN(C)C4=O)c3)CC2)C1.
What is the InChIKey of 1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one?
The InChIKey is ORIIFVYIEXDAIA-GOSISDBHSA-N. The full InChI is InChI=1S/C22H34N4O/c1-3-5-18-8-11-25(17-18)19-9-12-24(13-10-19)20-6-4-7-21(16-20)26-15-14-23(2)22(26)27/h4,6-7,16,18-19H,3,5,8-15,17H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one?
1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one has a molecular weight of 370.54 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[4-[(3R)-3-propylpyrrolidin-1-yl]piperidin-1-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 95047000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).