2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide

C24H30ClN3O4 — CID 42842453

IUPAC2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(NCc1ccco1)C(C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H30ClN3O4/c25-19-7-9-20(10-8-19)32-17-22(29)27-11-13-28(14-12-27)23(18-4-1-2-5-18)24(30)26-16-21-6-3-15-31-21/h3,6-10,15,18,23H,1-2,4-5,11-14,16-17H2,(H,26,30)
InChIKeyWYIRPMJJUOTZHQ-UHFFFAOYSA-N
MW459.97 g/mol
LogP3.33
Rot. Bonds8

About 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide

2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 42842453) has the molecular formula C24H30ClN3O4 and a molecular weight of 459.97 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
PubChem CID42842453
Molecular FormulaC24H30ClN3O4
Molecular Weight459.97 g/mol
Exact Mass459.19
IUPAC Name2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(NCc1ccco1)C(C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H30ClN3O4/c25-19-7-9-20(10-8-19)32-17-22(29)27-11-13-28(14-12-27)23(18-4-1-2-5-18)24(30)26-16-21-6-3-15-31-21/h3,6-10,15,18,23H,1-2,4-5,11-14,16-17H2,(H,26,30)
InChIKeyWYIRPMJJUOTZHQ-UHFFFAOYSA-N
XLogP3.33
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.97
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide 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-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide
CID 42842468
(2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93209748
2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
CID 42842454
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 46024261
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(2-pyridin-2-ylethyl)acetamide
CID 46024203
4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221172
2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842421
(2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide
CID 93209043
2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 42842614
(2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 93210790
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46100506
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide (CID 42842453) is 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide is O=C(NCc1ccco1)C(C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is WYIRPMJJUOTZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4/c25-19-7-9-20(10-8-19)32-17-22(29)27-11-13-28(14-12-27)23(18-4-1-2-5-18)24(30)26-16-21-6-3-15-31-21/h3,6-10,15,18,23H,1-2,4-5,11-14,16-17H2,(H,26,30).
What are the key properties of 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide?
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 459.97 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 42842453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).