(2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C24H34ClN3O4 — CID 93209748

IUPAC(2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(NC[C@@H]1CCCO1)[C@H](C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H34ClN3O4/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/h7-10,18,21,23H,1-6,11-17H2,(H,26,30)/t21-,23-/m0/s1
InChIKeyPFESUQWEWUKEDC-GMAHTHKFSA-N
MW464.01 g/mol
LogP2.72
Rot. Bonds8

About (2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide

(2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 93209748) has the molecular formula C24H34ClN3O4 and a molecular weight of 464.01 g/mol. Its IUPAC name is (2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID93209748
Molecular FormulaC24H34ClN3O4
Molecular Weight464.01 g/mol
Exact Mass463.22
IUPAC Name(2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(NC[C@@H]1CCCO1)[C@H](C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H34ClN3O4/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/h7-10,18,21,23H,1-6,11-17H2,(H,26,30)/t21-,23-/m0/s1
InChIKeyPFESUQWEWUKEDC-GMAHTHKFSA-N
XLogP2.72
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.01
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 42842453
(2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93209781
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(2-pyridin-2-ylethyl)acetamide
CID 46024203
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide
CID 46024452
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93209680
(2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93209757
2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 42842614
2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842421
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46100506
2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46084292
2-cyclopentyl-2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 110407933
4-[(4-chlorophenoxy)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 895178

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of (2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 93209748) is (2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for (2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for (2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(NC[C@@H]1CCCO1)[C@H](C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of (2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is PFESUQWEWUKEDC-GMAHTHKFSA-N. The full InChI is InChI=1S/C24H34ClN3O4/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/h7-10,18,21,23H,1-6,11-17H2,(H,26,30)/t21-,23-/m0/s1.
What are the key properties of (2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
(2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 464.01 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 93209748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).