ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate

C25H37N3O4 — CID 93209412

IUPACethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCN([C@H](C(=O)NCCc2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C25H37N3O4/c1-2-32-23(30)13-12-22(29)27-16-18-28(19-17-27)24(21-10-6-7-11-21)25(31)26-15-14-20-8-4-3-5-9-20/h3-5,8-9,21,24H,2,6-7,10-19H2,1H3,(H,26,31)/t24-/m0/s1
InChIKeyQGDXLGNXWBSKGM-DEOSSOPVSA-N
MW443.59 g/mol
LogP2.39
Rot. Bonds10

About ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate

ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate (PubChem CID 93209412) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
PubChem CID93209412
Molecular FormulaC25H37N3O4
Molecular Weight443.59 g/mol
Exact Mass443.28
IUPAC Nameethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCN([C@H](C(=O)NCCc2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C25H37N3O4/c1-2-32-23(30)13-12-22(29)27-16-18-28(19-17-27)24(21-10-6-7-11-21)25(31)26-15-14-20-8-4-3-5-9-20/h3-5,8-9,21,24H,2,6-7,10-19H2,1H3,(H,26,31)/t24-/m0/s1
InChIKeyQGDXLGNXWBSKGM-DEOSSOPVSA-N
XLogP2.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210620
2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 46024721
2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 24719942
(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 93209356
ethyl 4-[4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
CID 42842419
(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210063
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 93209331
4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 46027240
ethyl 4-[4-[(1R)-1-cyclopentyl-2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-4-oxobutanoate
CID 93221962
2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 42843600
ethyl 4-[4-[2-(1,3-benzodioxol-5-ylamino)-1-cyclopentyl-2-oxoethyl]piperazin-1-yl]-4-oxobutanoate
CID 46027631
1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 93210582

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate?
The IUPAC name of ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate (CID 93209412) is ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate is CCOC(=O)CCC(=O)N1CCN([C@H](C(=O)NCCc2ccccc2)C2CCCC2)CC1.
What is the InChIKey of ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate?
The InChIKey is QGDXLGNXWBSKGM-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H37N3O4/c1-2-32-23(30)13-12-22(29)27-16-18-28(19-17-27)24(21-10-6-7-11-21)25(31)26-15-14-20-8-4-3-5-9-20/h3-5,8-9,21,24H,2,6-7,10-19H2,1H3,(H,26,31)/t24-/m0/s1.
What are the key properties of ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate?
ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate has a molecular weight of 443.59 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 93209412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).