ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate

C15H24N2O4 — CID 60758306

IUPACethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C15H24N2O4/c1-2-21-14(19)6-5-13(18)17-9-7-12(8-10-17)16-15(20)11-3-4-11/h11-12H,2-10H2,1H3,(H,16,20)
InChIKeyDOSRVGBGZUHGSM-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.85
Rot. Bonds6

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

ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate (PubChem CID 60758306) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
PubChem CID60758306
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nameethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C15H24N2O4/c1-2-21-14(19)6-5-13(18)17-9-7-12(8-10-17)16-15(20)11-3-4-11/h11-12H,2-10H2,1H3,(H,16,20)
InChIKeyDOSRVGBGZUHGSM-UHFFFAOYSA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
CID 54875546
ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 51165095
ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 108559440
ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109144510
ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109149356
ethyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 110819279
ethyl 4-oxo-4-[4-[(3,4,5-trihydroxybenzoyl)amino]piperidin-1-yl]butanoate
CID 108560175
ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate
CID 108562777
ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate
CID 24699538
ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
CID 61150674
ethyl 4-[4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108561322

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate?
The IUPAC name of ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate (CID 60758306) is ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate is CCOC(=O)CCC(=O)N1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate?
The InChIKey is DOSRVGBGZUHGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-2-21-14(19)6-5-13(18)17-9-7-12(8-10-17)16-15(20)11-3-4-11/h11-12H,2-10H2,1H3,(H,16,20).
What are the key properties of ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate?
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate has a molecular weight of 296.37 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 60758306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).