methyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate

C23H30ClN3O4 — CID 55491828

IUPACmethyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccccc1Cl)N1CCN(C(=O)C2CC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C23H30ClN3O4/c1-31-23(30)21(18-8-4-5-9-19(18)24)25-10-12-26(13-11-25)22(29)16-14-20(28)27(15-16)17-6-2-3-7-17/h4-5,8-9,16-17,21H,2-3,6-7,10-15H2,1H3
InChIKeyJATUINLUAHHZGQ-UHFFFAOYSA-N
MW447.96 g/mol
LogP2.49
Rot. Bonds5

About methyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate

methyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate (PubChem CID 55491828) has the molecular formula C23H30ClN3O4 and a molecular weight of 447.96 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate
PubChem CID55491828
Molecular FormulaC23H30ClN3O4
Molecular Weight447.96 g/mol
Exact Mass447.19
IUPAC Namemethyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccccc1Cl)N1CCN(C(=O)C2CC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C23H30ClN3O4/c1-31-23(30)21(18-8-4-5-9-19(18)24)25-10-12-26(13-11-25)22(29)16-14-20(28)27(15-16)17-6-2-3-7-17/h4-5,8-9,16-17,21H,2-3,6-7,10-15H2,1H3
InChIKeyJATUINLUAHHZGQ-UHFFFAOYSA-N
XLogP2.49
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.96
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013
(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669
1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 2986614
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
(4S)-4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 9113608
methyl 2-(2-chlorophenyl)-2-(4-sulfanylpiperidin-1-yl)acetate;hydrochloride
CID 23000853
methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate
CID 95335169
1-cyclopentyl-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 86890881
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
methyl (2S)-2-[4-[(2S)-2-acetamido-3-methylbutanoyl]piperazin-1-yl]-2-(2-chlorophenyl)acetate
CID 37140293
1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113185530

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate (CID 55491828) is methyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate is COC(=O)C(c1ccccc1Cl)N1CCN(C(=O)C2CC(=O)N(C3CCCC3)C2)CC1.
What is the InChIKey of methyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate?
The InChIKey is JATUINLUAHHZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O4/c1-31-23(30)21(18-8-4-5-9-19(18)24)25-10-12-26(13-11-25)22(29)16-14-20(28)27(15-16)17-6-2-3-7-17/h4-5,8-9,16-17,21H,2-3,6-7,10-15H2,1H3.
What are the key properties of methyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate?
methyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate has a molecular weight of 447.96 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetate is sourced from PubChem (CID 55491828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).