ethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate

C25H36N2O5 — CID 25367155

IUPACethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC(=O)[C@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)CCCCC1
InChIInChI=1S/C25H36N2O5/c1-3-32-23(29)17-25(14-5-4-6-15-25)26-24(30)20-9-12-22(28)27(18-20)16-13-19-7-10-21(31-2)11-8-19/h7-8,10-11,20H,3-6,9,12-18H2,1-2H3,(H,26,30)/t20-/m0/s1
InChIKeyUTAIOSNPFARROS-FQEVSTJZSA-N
MW444.57 g/mol
LogP3.25
Rot. Bonds9

About ethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate

ethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate (PubChem CID 25367155) has the molecular formula C25H36N2O5 and a molecular weight of 444.57 g/mol. Its IUPAC name is ethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate
PubChem CID25367155
Molecular FormulaC25H36N2O5
Molecular Weight444.57 g/mol
Exact Mass444.26
IUPAC Nameethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC(=O)[C@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)CCCCC1
InChIInChI=1S/C25H36N2O5/c1-3-32-23(29)17-25(14-5-4-6-15-25)26-24(30)20-9-12-22(28)27(18-20)16-13-19-7-10-21(31-2)11-8-19/h7-8,10-11,20H,3-6,9,12-18H2,1-2H3,(H,26,30)/t20-/m0/s1
InChIKeyUTAIOSNPFARROS-FQEVSTJZSA-N
XLogP3.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate with MolForge

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Related Compounds

N-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 72920179
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
CID 25280204
(3R)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 25385779
(5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one
CID 26334745
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24790291
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3-carboxamide
CID 25384262
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97151949
N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568459
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 25371985
N-(1H-imidazol-2-ylmethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 72921861
(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42241137
(5S)-5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one
CID 42462493

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate (CID 25367155) is ethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate is CCOC(=O)CC1(NC(=O)[C@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)CCCCC1.
What is the InChIKey of ethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate?
The InChIKey is UTAIOSNPFARROS-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H36N2O5/c1-3-32-23(29)17-25(14-5-4-6-15-25)26-24(30)20-9-12-22(28)27(18-20)16-13-19-7-10-21(31-2)11-8-19/h7-8,10-11,20H,3-6,9,12-18H2,1-2H3,(H,26,30)/t20-/m0/s1.
What are the key properties of ethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate?
ethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate has a molecular weight of 444.57 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate is sourced from PubChem (CID 25367155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).