ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate

C17H23N3O4 — CID 108562777

IUPACethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCC(NC(=O)c2ccccn2)CC1
InChIInChI=1S/C17H23N3O4/c1-2-24-16(22)7-6-15(21)20-11-8-13(9-12-20)19-17(23)14-5-3-4-10-18-14/h3-5,10,13H,2,6-9,11-12H2,1H3,(H,19,23)
InChIKeyMQLOMBUABBZWJI-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.15
Rot. Bonds6

About ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate

ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate (PubChem CID 108562777) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate
PubChem CID108562777
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nameethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCC(NC(=O)c2ccccn2)CC1
InChIInChI=1S/C17H23N3O4/c1-2-24-16(22)7-6-15(21)20-11-8-13(9-12-20)19-17(23)14-5-3-4-10-18-14/h3-5,10,13H,2,6-9,11-12H2,1H3,(H,19,23)
InChIKeyMQLOMBUABBZWJI-UHFFFAOYSA-N
XLogP1.15
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557848
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557840
butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562788
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 49488608
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate
CID 56910971
ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 108559440
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557870
prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562791
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557843
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate?
The IUPAC name of ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate (CID 108562777) is ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate is CCOC(=O)CCC(=O)N1CCC(NC(=O)c2ccccn2)CC1.
What is the InChIKey of ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate?
The InChIKey is MQLOMBUABBZWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-2-24-16(22)7-6-15(21)20-11-8-13(9-12-20)19-17(23)14-5-3-4-10-18-14/h3-5,10,13H,2,6-9,11-12H2,1H3,(H,19,23).
What are the key properties of ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate?
ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate has a molecular weight of 333.39 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate is sourced from PubChem (CID 108562777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).