1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea

C24H30ClN5O3 — CID 43970516

IUPAC1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea
SMILESCOc1ccc(N2CCN(CCNC(=O)NC3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)cc1
InChIInChI=1S/C24H30ClN5O3/c1-33-22-8-6-20(7-9-22)29-14-12-28(13-15-29)11-10-26-24(32)27-19-16-23(31)30(17-19)21-4-2-18(25)3-5-21/h2-9,19H,10-17H2,1H3,(H2,26,27,32)
InChIKeyGXOBIAKKUUQLPI-UHFFFAOYSA-N
MW471.99 g/mol
LogP2.58
Rot. Bonds7

About 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea

1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea (PubChem CID 43970516) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea
PubChem CID43970516
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC Name1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea
SMILESCOc1ccc(N2CCN(CCNC(=O)NC3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)cc1
InChIInChI=1S/C24H30ClN5O3/c1-33-22-8-6-20(7-9-22)29-14-12-28(13-15-29)11-10-26-24(32)27-19-16-23(31)30(17-19)21-4-2-18(25)3-5-21/h2-9,19H,10-17H2,1H3,(H2,26,27,32)
InChIKeyGXOBIAKKUUQLPI-UHFFFAOYSA-N
XLogP2.58
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 16801428
1-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 41234836
1-[2-(4-methoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564273
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827
1-ethyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244162
1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572695
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea
CID 7544981
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 7563965
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
CID 7548798
4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7163162
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 7215297

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea?
The IUPAC name of 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea (CID 43970516) is 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea is COc1ccc(N2CCN(CCNC(=O)NC3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea?
The InChIKey is GXOBIAKKUUQLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O3/c1-33-22-8-6-20(7-9-22)29-14-12-28(13-15-29)11-10-26-24(32)27-19-16-23(31)30(17-19)21-4-2-18(25)3-5-21/h2-9,19H,10-17H2,1H3,(H2,26,27,32).
What are the key properties of 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea?
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea has a molecular weight of 471.99 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea is sourced from PubChem (CID 43970516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).