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

C21H31N3O4 — CID 93221957

IUPAC(2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOCC(=O)N1CCN([C@H](C(=O)Nc2cccc(OC)c2)C2CCCC2)CC1
InChIInChI=1S/C21H31N3O4/c1-27-15-19(25)23-10-12-24(13-11-23)20(16-6-3-4-7-16)21(26)22-17-8-5-9-18(14-17)28-2/h5,8-9,14,16,20H,3-4,6-7,10-13,15H2,1-2H3,(H,22,26)/t20-/m0/s1
InChIKeySQOPKSOYVHIZBO-FQEVSTJZSA-N
MW389.50 g/mol
LogP1.98
Rot. Bonds7

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

(2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 93221957) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID93221957
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name(2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOCC(=O)N1CCN([C@H](C(=O)Nc2cccc(OC)c2)C2CCCC2)CC1
InChIInChI=1S/C21H31N3O4/c1-27-15-19(25)23-10-12-24(13-11-23)20(16-6-3-4-7-16)21(26)22-17-8-5-9-18(14-17)28-2/h5,8-9,14,16,20H,3-4,6-7,10-13,15H2,1-2H3,(H,22,26)/t20-/m0/s1
InChIKeySQOPKSOYVHIZBO-FQEVSTJZSA-N
XLogP1.98
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-[(1R)-1-cyclopentyl-2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-4-oxobutanoate
CID 93221962
(2R)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 93221771
(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
(2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 93222166
2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 42843651
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide
CID 46027506
2-cyclopentyl-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 46027386
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 42843618
(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 93222066
2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 42842614
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 93210502

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of (2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide (CID 93221957) is (2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide is COCC(=O)N1CCN([C@H](C(=O)Nc2cccc(OC)c2)C2CCCC2)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is SQOPKSOYVHIZBO-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-27-15-19(25)23-10-12-24(13-11-23)20(16-6-3-4-7-16)21(26)22-17-8-5-9-18(14-17)28-2/h5,8-9,14,16,20H,3-4,6-7,10-13,15H2,1-2H3,(H,22,26)/t20-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide?
(2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 389.50 g/mol, XLogP of 1.98, 7 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-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 93221957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).