(2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide

C24H35N3O4 — CID 93222037

IUPAC(2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)C3CCC3)CC2)cc1OC
InChIInChI=1S/C24H35N3O4/c1-30-20-11-10-19(16-21(20)31-2)25-23(28)22(17-6-3-4-7-17)26-12-14-27(15-13-26)24(29)18-8-5-9-18/h10-11,16-18,22H,3-9,12-15H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyRTIIFVQLSDCYCN-JOCHJYFZSA-N
MW429.56 g/mol
LogP3.15
Rot. Bonds7

About (2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide

(2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 93222037) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is (2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID93222037
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name(2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)C3CCC3)CC2)cc1OC
InChIInChI=1S/C24H35N3O4/c1-30-20-11-10-19(16-21(20)31-2)25-23(28)22(17-6-3-4-7-17)26-12-14-27(15-13-26)24(29)18-8-5-9-18/h10-11,16-18,22H,3-9,12-15H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyRTIIFVQLSDCYCN-JOCHJYFZSA-N
XLogP3.15
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 42843651
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 93222056
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 46027650
(2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221645
(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221895
(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 93222066
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-methylacetamide
CID 24719259
(2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 93222166
methyl 4-[2-(1,3-benzodioxol-5-ylamino)-1-cyclopentyl-2-oxoethyl]piperazine-1-carboxylate
CID 46153431
2-cyclopentyl-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 46027386
(2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 93221957
cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
CID 110363777

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of (2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide (CID 93222037) is (2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for (2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for (2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)C3CCC3)CC2)cc1OC.
What is the InChIKey of (2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is RTIIFVQLSDCYCN-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-30-20-11-10-19(16-21(20)31-2)25-23(28)22(17-6-3-4-7-17)26-12-14-27(15-13-26)24(29)18-8-5-9-18/h10-11,16-18,22H,3-9,12-15H2,1-2H3,(H,25,28)/t22-/m1/s1.
What are the key properties of (2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide?
(2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 429.56 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 93222037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).