1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea

C17H25N5O3 — CID 43969825

IUPAC1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea
SMILESCOc1cccc(N2CC(NC(=O)NN3CCN(C)CC3)CC2=O)c1
InChIInChI=1S/C17H25N5O3/c1-20-6-8-21(9-7-20)19-17(24)18-13-10-16(23)22(12-13)14-4-3-5-15(11-14)25-2/h3-5,11,13H,6-10,12H2,1-2H3,(H2,18,19,24)
InChIKeyDTUVSUQAENXBGV-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.26
Rot. Bonds4

About 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea

1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea (PubChem CID 43969825) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea
PubChem CID43969825
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea
SMILESCOc1cccc(N2CC(NC(=O)NN3CCN(C)CC3)CC2=O)c1
InChIInChI=1S/C17H25N5O3/c1-20-6-8-21(9-7-20)19-17(24)18-13-10-16(23)22(12-13)14-4-3-5-15(11-14)25-2/h3-5,11,13H,6-10,12H2,1-2H3,(H2,18,19,24)
InChIKeyDTUVSUQAENXBGV-UHFFFAOYSA-N
XLogP0.26
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7215126
1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544056
1-cycloheptyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544202
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 7543898
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea
CID 7552068
1-(2,5-dimethoxyphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544528
N-[3-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 18564245
N-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7544617
4-acetyl-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7215239
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564211
1-(4-fluorophenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544338

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea?
The IUPAC name of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea (CID 43969825) is 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea?
The canonical SMILES for 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea is COc1cccc(N2CC(NC(=O)NN3CCN(C)CC3)CC2=O)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea?
The InChIKey is DTUVSUQAENXBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-20-6-8-21(9-7-20)19-17(24)18-13-10-16(23)22(12-13)14-4-3-5-15(11-14)25-2/h3-5,11,13H,6-10,12H2,1-2H3,(H2,18,19,24).
What are the key properties of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea?
1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea has a molecular weight of 347.42 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea is sourced from PubChem (CID 43969825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).