N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide

C22H25ClN4O3 — CID 41106609

IUPACN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C22H25ClN4O3/c1-30-20-5-3-2-4-19(20)25-10-12-26(13-11-25)22(29)24-17-14-21(28)27(15-17)18-8-6-16(23)7-9-18/h2-9,17H,10-15H2,1H3,(H,24,29)/t17-/m1/s1
InChIKeyNNGGPYCOFUUHCV-QGZVFWFLSA-N
MW428.92 g/mol
LogP2.99
Rot. Bonds4

About N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide

N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 41106609) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID41106609
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC NameN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C22H25ClN4O3/c1-30-20-5-3-2-4-19(20)25-10-12-26(13-11-25)22(29)24-17-14-21(28)27(15-17)18-8-6-16(23)7-9-18/h2-9,17H,10-15H2,1H3,(H,24,29)/t17-/m1/s1
InChIKeyNNGGPYCOFUUHCV-QGZVFWFLSA-N
XLogP2.99
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 16812474
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 41106594
N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 41129285
4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490013
4-(2-chlorophenyl)-N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 16812468
4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7163162
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazin-4-ium-1-carboxamide
CID 7548682
4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
CID 108875887
4-(2-fluorophenyl)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7162495
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490033
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methoxyphenyl)methyl]urea
CID 7548992

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide (CID 41106609) is N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is NNGGPYCOFUUHCV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-30-20-5-3-2-4-19(20)25-10-12-26(13-11-25)22(29)24-17-14-21(28)27(15-17)18-8-6-16(23)7-9-18/h2-9,17H,10-15H2,1H3,(H,24,29)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 41106609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).