3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea

C19H28N4O3 — CID 7543898

IUPAC3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCOc1cccc(N2C[C@H](NC(=O)N(C)C3CCN(C)CC3)CC2=O)c1
InChIInChI=1S/C19H28N4O3/c1-21-9-7-15(8-10-21)22(2)19(25)20-14-11-18(24)23(13-14)16-5-4-6-17(12-16)26-3/h4-6,12,14-15H,7-11,13H2,1-3H3,(H,20,25)/t14-/m1/s1
InChIKeyJAIODANBVFHFQV-CQSZACIVSA-N
MW360.46 g/mol
LogP1.54
Rot. Bonds4

About 3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea

3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea (PubChem CID 7543898) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
PubChem CID7543898
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCOc1cccc(N2C[C@H](NC(=O)N(C)C3CCN(C)CC3)CC2=O)c1
InChIInChI=1S/C19H28N4O3/c1-21-9-7-15(8-10-21)22(2)19(25)20-14-11-18(24)23(13-14)16-5-4-6-17(12-16)26-3/h4-6,12,14-15H,7-11,13H2,1-3H3,(H,20,25)/t14-/m1/s1
InChIKeyJAIODANBVFHFQV-CQSZACIVSA-N
XLogP1.54
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7215126
3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-di(propan-2-yl)urea
CID 7543850
1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea
CID 43969825
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
1-butyl-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7543865
1-cyclohexyl-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7216073
1-cycloheptyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544202
4-hydroxy-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 18564205
4-acetyl-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7215239
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544056
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea (CID 7543898) is 3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea is COc1cccc(N2C[C@H](NC(=O)N(C)C3CCN(C)CC3)CC2=O)c1.
What is the InChIKey of 3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is JAIODANBVFHFQV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-21-9-7-15(8-10-21)22(2)19(25)20-14-11-18(24)23(13-14)16-5-4-6-17(12-16)26-3/h4-6,12,14-15H,7-11,13H2,1-3H3,(H,20,25)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea?
3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 360.46 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 7543898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).