N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide

C26H32ClN3O3 — CID 42842468

IUPACN-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide
SMILESO=C(NCc1ccccc1)C(C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H32ClN3O3/c27-22-10-12-23(13-11-22)33-19-24(31)29-14-16-30(17-15-29)25(21-8-4-5-9-21)26(32)28-18-20-6-2-1-3-7-20/h1-3,6-7,10-13,21,25H,4-5,8-9,14-19H2,(H,28,32)
InChIKeyIFPGUOJAJXSMAL-UHFFFAOYSA-N
MW470.01 g/mol
LogP3.74
Rot. Bonds8

About N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide

N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide (PubChem CID 42842468) has the molecular formula C26H32ClN3O3 and a molecular weight of 470.01 g/mol. Its IUPAC name is N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide
PubChem CID42842468
Molecular FormulaC26H32ClN3O3
Molecular Weight470.01 g/mol
Exact Mass469.21
IUPAC NameN-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide
SMILESO=C(NCc1ccccc1)C(C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H32ClN3O3/c27-22-10-12-23(13-11-22)33-19-24(31)29-14-16-30(17-15-29)25(21-8-4-5-9-21)26(32)28-18-20-6-2-1-3-7-20/h1-3,6-7,10-13,21,25H,4-5,8-9,14-19H2,(H,28,32)
InChIKeyIFPGUOJAJXSMAL-UHFFFAOYSA-N
XLogP3.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.01
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842421
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 42842453
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(2-pyridin-2-ylethyl)acetamide
CID 46024203
(2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93209748
2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 42842614
2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
CID 46024567
(2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
CID 93210382
(2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 93210790
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide
CID 93210232
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide
CID 46024575
(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210063
2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
CID 42842454

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide?
The IUPAC name of N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide (CID 42842468) is N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide is O=C(NCc1ccccc1)C(C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide?
The InChIKey is IFPGUOJAJXSMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O3/c27-22-10-12-23(13-11-22)33-19-24(31)29-14-16-30(17-15-29)25(21-8-4-5-9-21)26(32)28-18-20-6-2-1-3-7-20/h1-3,6-7,10-13,21,25H,4-5,8-9,14-19H2,(H,28,32).
What are the key properties of N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide?
N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide has a molecular weight of 470.01 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 42842468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).