ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate

C18H30N2O4 — CID 108563869

IUPACethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H30N2O4/c1-2-24-17(22)9-8-16(21)19-15-10-12-20(13-11-15)18(23)14-6-4-3-5-7-14/h14-15H,2-13H2,1H3,(H,19,21)
InChIKeyUNPHXAPVOXERIG-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.02
Rot. Bonds6

About ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate

ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate (PubChem CID 108563869) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate
PubChem CID108563869
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Nameethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H30N2O4/c1-2-24-17(22)9-8-16(21)19-15-10-12-20(13-11-15)18(23)14-6-4-3-5-7-14/h14-15H,2-13H2,1H3,(H,19,21)
InChIKeyUNPHXAPVOXERIG-UHFFFAOYSA-N
XLogP2.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate
CID 60730732
ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate
CID 60669009
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 50988896
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
CID 108942361
ethyl 4-[(4-carbamoylcyclohexyl)amino]-4-oxobutanoate
CID 60728078
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306
ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 51165095
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557702
tert-butyl N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919724
ethyl 4-oxo-4-[[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]amino]butanoate
CID 108564420
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate (CID 108563869) is ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate?
The InChIKey is UNPHXAPVOXERIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-2-24-17(22)9-8-16(21)19-15-10-12-20(13-11-15)18(23)14-6-4-3-5-7-14/h14-15H,2-13H2,1H3,(H,19,21).
What are the key properties of ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate?
ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate has a molecular weight of 338.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 108563869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).