1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one

C21H26ClN3O5 — CID 55330307

IUPAC1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)N2CCN(C(=O)C3CCCO3)CC2)CC1=O
InChIInChI=1S/C21H26ClN3O5/c1-29-17-5-4-15(22)12-16(17)25-13-14(11-19(25)26)20(27)23-6-8-24(9-7-23)21(28)18-3-2-10-30-18/h4-5,12,14,18H,2-3,6-11,13H2,1H3
InChIKeyXJJIQHYVMNSRRV-UHFFFAOYSA-N
MW435.91 g/mol
LogP1.55
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 55330307) has the molecular formula C21H26ClN3O5 and a molecular weight of 435.91 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID55330307
Molecular FormulaC21H26ClN3O5
Molecular Weight435.91 g/mol
Exact Mass435.16
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)N2CCN(C(=O)C3CCCO3)CC2)CC1=O
InChIInChI=1S/C21H26ClN3O5/c1-29-17-5-4-15(22)12-16(17)25-13-14(11-19(25)26)20(27)23-6-8-24(9-7-23)21(28)18-3-2-10-30-18/h4-5,12,14,18H,2-3,6-11,13H2,1H3
InChIKeyXJJIQHYVMNSRRV-UHFFFAOYSA-N
XLogP1.55
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 134015599
4-(3-aminopiperidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 119378594
1-(5-chloro-2-methoxyphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 47005186
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119518045
2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 125132490
1-(5-chloro-2-methoxyphenyl)-4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyrrolidin-2-one
CID 119636314
1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 55563584
1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 112836375
[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 82533904
4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120659035
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47010572
N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655234

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 55330307) is 1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one is COc1ccc(Cl)cc1N1CC(C(=O)N2CCN(C(=O)C3CCCO3)CC2)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is XJJIQHYVMNSRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O5/c1-29-17-5-4-15(22)12-16(17)25-13-14(11-19(25)26)20(27)23-6-8-24(9-7-23)21(28)18-3-2-10-30-18/h4-5,12,14,18H,2-3,6-11,13H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 435.91 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 55330307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).