(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C28H37N3O4 — CID 93210502

IUPAC(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C28H37N3O4/c1-34-24-12-10-21(11-13-24)14-15-29-27(32)26(22-6-3-4-7-22)30-16-18-31(19-17-30)28(33)23-8-5-9-25(20-23)35-2/h5,8-13,20,22,26H,3-4,6-7,14-19H2,1-2H3,(H,29,32)/t26-/m0/s1
InChIKeyKZDXOXJLCIPTLE-SANMLTNESA-N
MW479.62 g/mol
LogP3.38
Rot. Bonds9

About (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 93210502) has the molecular formula C28H37N3O4 and a molecular weight of 479.62 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID93210502
Molecular FormulaC28H37N3O4
Molecular Weight479.62 g/mol
Exact Mass479.28
IUPAC Name(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C28H37N3O4/c1-34-24-12-10-21(11-13-24)14-15-29-27(32)26(22-6-3-4-7-22)30-16-18-31(19-17-30)28(33)23-8-5-9-25(20-23)35-2/h5,8-13,20,22,26H,3-4,6-7,14-19H2,1-2H3,(H,29,32)/t26-/m0/s1
InChIKeyKZDXOXJLCIPTLE-SANMLTNESA-N
XLogP3.38
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209459
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209461
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842701
(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93210467
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842706
2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46024433
2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46152963
2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 24719213
2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42842761
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide
CID 46024690
2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide
CID 42842568
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 93209331

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 93210502) is (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is KZDXOXJLCIPTLE-SANMLTNESA-N. The full InChI is InChI=1S/C28H37N3O4/c1-34-24-12-10-21(11-13-24)14-15-29-27(32)26(22-6-3-4-7-22)30-16-18-31(19-17-30)28(33)23-8-5-9-25(20-23)35-2/h5,8-13,20,22,26H,3-4,6-7,14-19H2,1-2H3,(H,29,32)/t26-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 479.62 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 93210502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).