(2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C23H31Cl2N3O3 — CID 93209781

IUPAC(2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(NC[C@H]1CCCO1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H31Cl2N3O3/c24-17-7-8-19(20(25)14-17)23(30)28-11-9-27(10-12-28)21(16-4-1-2-5-16)22(29)26-15-18-6-3-13-31-18/h7-8,14,16,18,21H,1-6,9-13,15H2,(H,26,29)/t18-,21+/m1/s1
InChIKeyCXOWOEQRVJASRG-NQIIRXRSSA-N
MW468.43 g/mol
LogP3.61
Rot. Bonds6

About (2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

(2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 93209781) has the molecular formula C23H31Cl2N3O3 and a molecular weight of 468.43 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID93209781
Molecular FormulaC23H31Cl2N3O3
Molecular Weight468.43 g/mol
Exact Mass467.17
IUPAC Name(2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(NC[C@H]1CCCO1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H31Cl2N3O3/c24-17-7-8-19(20(25)14-17)23(30)28-11-9-27(10-12-28)21(16-4-1-2-5-16)22(29)26-15-18-6-3-13-31-18/h7-8,14,16,18,21H,1-6,9-13,15H2,(H,26,29)/t18-,21+/m1/s1
InChIKeyCXOWOEQRVJASRG-NQIIRXRSSA-N
XLogP3.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93209748
(2R)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93209757
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
N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46024308
(2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 93208410
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027494
(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 93222111
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide
CID 30478968
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 46024550
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of (2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 93209781) is (2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is O=C(NC[C@H]1CCCO1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is CXOWOEQRVJASRG-NQIIRXRSSA-N. The full InChI is InChI=1S/C23H31Cl2N3O3/c24-17-7-8-19(20(25)14-17)23(30)28-11-9-27(10-12-28)21(16-4-1-2-5-16)22(29)26-15-18-6-3-13-31-18/h7-8,14,16,18,21H,1-6,9-13,15H2,(H,26,29)/t18-,21+/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
(2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 468.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 93209781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).