4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid

C15H26N2O3 — CID 22466944

IUPAC4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid
SMILESO=C(O)CC(CN1CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C15H26N2O3/c18-14(19)11-13(12-16-7-3-1-4-8-16)15(20)17-9-5-2-6-10-17/h13H,1-12H2,(H,18,19)
InChIKeyVPMGMEYWJSBCMV-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.58
Rot. Bonds5

About 4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid

4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid (PubChem CID 22466944) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid
PubChem CID22466944
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid
SMILESO=C(O)CC(CN1CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C15H26N2O3/c18-14(19)11-13(12-16-7-3-1-4-8-16)15(20)17-9-5-2-6-10-17/h13H,1-12H2,(H,18,19)
InChIKeyVPMGMEYWJSBCMV-UHFFFAOYSA-N
XLogP1.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-Dimethylpiperidin-1-yl)-4-oxobutanoic acid
CID 3385344
4-(4-(Fluoromethyl)piperidin-1-yl)-4-oxobutanoic acid
CID 121200918
4-(3-(Fluoromethyl)piperidin-1-yl)-4-oxobutanoic acid
CID 121200958
4-(4-(2-Fluoroethyl)piperidin-1-yl)-4-oxobutanoic acid
CID 121201042
4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129498256
4-[(3R)-3-(fluoromethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129498261
4-[4-(4-Methoxycarbonylpiperidin-1-yl)piperidin-1-yl]-4-oxobutanoic acid
CID 3471109
4-(4-Methylpiperidin-1-yl)-4-oxobutanoic acid
CID 910272
3-(4-Piperidinopiperidinocarbonyl)propionic acid
CID 19358571
4-(4-Methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid
CID 22467106
1-(Piperidin-1-ylacetyl)piperidine-4-carboxylic acid
CID 53211438
1-[(1-Methylpiperidin-4-yl)carbonyl]piperidine-4-carboxylic acid
CID 53215781

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid?
The IUPAC name of 4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid (CID 22466944) is 4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid.
What is the SMILES notation for 4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid?
The canonical SMILES for 4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid is O=C(O)CC(CN1CCCCC1)C(=O)N1CCCCC1.
What is the InChIKey of 4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid?
The InChIKey is VPMGMEYWJSBCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(19)11-13(12-16-7-3-1-4-8-16)15(20)17-9-5-2-6-10-17/h13H,1-12H2,(H,18,19).
What are the key properties of 4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid?
4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-piperidin-1-yl-3-(piperidin-1-ylmethyl)butanoic acid is sourced from PubChem (CID 22466944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).