ethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate

C17H23N3O4 — CID 139642128

IUPACethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C17H23N3O4/c1-2-24-16(22)4-3-15(21)20-11-7-13(8-12-20)17(23)19-14-5-9-18-10-6-14/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,19,23)
InChIKeyPOVZGXCGABMVCQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.60
Rot. Bonds6

About ethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate

ethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate (PubChem CID 139642128) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate
PubChem CID139642128
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nameethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C17H23N3O4/c1-2-24-16(22)4-3-15(21)20-11-7-13(8-12-20)17(23)19-14-5-9-18-10-6-14/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,19,23)
InChIKeyPOVZGXCGABMVCQ-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (E)-3-[4-[[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]amino]phenyl]prop-2-enoate
CID 39692779
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
ethyl 1-[[4-[(1-ethoxycarbonylpiperidine-4-carbonyl)amino]phenyl]carbamoyl]piperidine-4-carboxylate
CID 3240420
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300
ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 41491893
ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113006432

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate?
The IUPAC name of ethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate (CID 139642128) is ethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate is CCOC(=O)CCC(=O)N1CCC(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of ethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate?
The InChIKey is POVZGXCGABMVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-2-24-16(22)4-3-15(21)20-11-7-13(8-12-20)17(23)19-14-5-9-18-10-6-14/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,19,23).
What are the key properties of ethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate?
ethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate has a molecular weight of 333.39 g/mol, XLogP of 1.60, 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-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate is sourced from PubChem (CID 139642128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).