5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid

C10H15NO4 — CID 2760467

IUPAC5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC(=O)CC1
InChIInChI=1S/C10H15NO4/c12-8-4-6-11(7-5-8)9(13)2-1-3-10(14)15/h1-7H2,(H,14,15)
InChIKeyBQPYFNZTQRPFCX-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.43
Rot. Bonds4

About 5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid

5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid (PubChem CID 2760467) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid
PubChem CID2760467
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC(=O)CC1
InChIInChI=1S/C10H15NO4/c12-8-4-6-11(7-5-8)9(13)2-1-3-10(14)15/h1-7H2,(H,14,15)
InChIKeyBQPYFNZTQRPFCX-UHFFFAOYSA-N
XLogP0.43
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid
CID 27396946
1-pent-4-ynoylpiperidin-4-one
CID 131153334
1-(3-methylsulfonylpropanoyl)piperidin-4-one
CID 164545442
5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid
CID 62936546
5-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid
CID 54876383
5-(4-acetylpiperazin-1-yl)-5-oxopentanoic acid;oxane-2,6-dione;1-piperazin-1-ylethanone
CID 162024443
5-oxo-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pentanoic acid
CID 54916584
6-[4,4-bis(2-oxopropyl)piperidin-1-yl]-6-oxohexanoic acid
CID 145408296
1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one
CID 91564845
5-oxo-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid
CID 43580112
1-[4-(1-methylpyrrol-3-yl)butanoyl]piperidin-4-one
CID 82480285
5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid
CID 134069474

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid?
The IUPAC name of 5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid (CID 2760467) is 5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid?
The canonical SMILES for 5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid is O=C(O)CCCC(=O)N1CCC(=O)CC1.
What is the InChIKey of 5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid?
The InChIKey is BQPYFNZTQRPFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-8-4-6-11(7-5-8)9(13)2-1-3-10(14)15/h1-7H2,(H,14,15).
What are the key properties of 5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid?
5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 2760467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).