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

C27H35N3O5 — CID 42843651

IUPAC2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(C(C(=O)Nc3ccc(OC)c(OC)c3)C3CCCC3)CC2)cc1
InChIInChI=1S/C27H35N3O5/c1-33-22-11-8-20(9-12-22)27(32)30-16-14-29(15-17-30)25(19-6-4-5-7-19)26(31)28-21-10-13-23(34-2)24(18-21)35-3/h8-13,18-19,25H,4-7,14-17H2,1-3H3,(H,28,31)
InChIKeyFSIGNZBHYBUORC-UHFFFAOYSA-N
MW481.59 g/mol
LogP3.67
Rot. Bonds8

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

2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 42843651) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is 2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID42843651
Molecular FormulaC27H35N3O5
Molecular Weight481.59 g/mol
Exact Mass481.26
IUPAC Name2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(C(C(=O)Nc3ccc(OC)c(OC)c3)C3CCCC3)CC2)cc1
InChIInChI=1S/C27H35N3O5/c1-33-22-11-8-20(9-12-22)27(32)30-16-14-29(15-17-30)25(19-6-4-5-7-19)26(31)28-21-10-13-23(34-2)24(18-21)35-3/h8-13,18-19,25H,4-7,14-17H2,1-3H3,(H,28,31)
InChIKeyFSIGNZBHYBUORC-UHFFFAOYSA-N
XLogP3.67
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
2-cyclopentyl-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 46027386
(2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 93222037
(2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 93222166
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,5-dimethoxyphenyl)acetamide
CID 46027506
(2R)-2-cyclopentyl-N-(3,5-dimethoxyphenyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93221901
2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46152963
2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42842766
2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 42842307
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842701
(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 93222100

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide (CID 42843651) is 2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide is COc1ccc(C(=O)N2CCN(C(C(=O)Nc3ccc(OC)c(OC)c3)C3CCCC3)CC2)cc1.
What is the InChIKey of 2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is FSIGNZBHYBUORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O5/c1-33-22-11-8-20(9-12-22)27(32)30-16-14-29(15-17-30)25(19-6-4-5-7-19)26(31)28-21-10-13-23(34-2)24(18-21)35-3/h8-13,18-19,25H,4-7,14-17H2,1-3H3,(H,28,31).
What are the key properties of 2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 481.59 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 42843651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).