4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

C28H38N4O4 — CID 46027265

IUPAC4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(C(=O)NCCc3ccccc3OC)C3CCCC3)CC2)cc1
InChIInChI=1S/C28H38N4O4/c1-35-24-13-11-23(12-14-24)30-28(34)32-19-17-31(18-20-32)26(22-8-3-4-9-22)27(33)29-16-15-21-7-5-6-10-25(21)36-2/h5-7,10-14,22,26H,3-4,8-9,15-20H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyJCHCLHXQXQAWKL-UHFFFAOYSA-N
MW494.64 g/mol
LogP3.77
Rot. Bonds9

About 4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 46027265) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is 4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID46027265
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Name4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(C(=O)NCCc3ccccc3OC)C3CCCC3)CC2)cc1
InChIInChI=1S/C28H38N4O4/c1-35-24-13-11-23(12-14-24)30-28(34)32-19-17-31(18-20-32)26(22-8-3-4-9-22)27(33)29-16-15-21-7-5-6-10-25(21)36-2/h5-7,10-14,22,26H,3-4,8-9,15-20H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyJCHCLHXQXQAWKL-UHFFFAOYSA-N
XLogP3.77
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42842732
4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221209
4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221172
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024701
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 24719212
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 46024703
4-[(1R)-1-cyclopentyl-2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221296
2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 24719213
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide
CID 46024690
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842706
N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103333
2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 42843651

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 46027265) is 4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(C(C(=O)NCCc3ccccc3OC)C3CCCC3)CC2)cc1.
What is the InChIKey of 4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is JCHCLHXQXQAWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-35-24-13-11-23(12-14-24)30-28(34)32-19-17-31(18-20-32)26(22-8-3-4-9-22)27(33)29-16-15-21-7-5-6-10-25(21)36-2/h5-7,10-14,22,26H,3-4,8-9,15-20H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of 4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 46027265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).