4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid

C15H20N2O3 — CID 22467013

IUPAC4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid
SMILESO=C(O)CC(CN1CCCCC1)C(=O)c1ccncc1
InChIInChI=1S/C15H20N2O3/c18-14(19)10-13(11-17-8-2-1-3-9-17)15(20)12-4-6-16-7-5-12/h4-7,13H,1-3,8-11H2,(H,18,19)
InChIKeyYGTABBIMLNEROY-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.84
Rot. Bonds6

About 4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid

4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid (PubChem CID 22467013) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid.

Molecular Properties

Compound Name4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid
PubChem CID22467013
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid
SMILESO=C(O)CC(CN1CCCCC1)C(=O)c1ccncc1
InChIInChI=1S/C15H20N2O3/c18-14(19)10-13(11-17-8-2-1-3-9-17)15(20)12-4-6-16-7-5-12/h4-7,13H,1-3,8-11H2,(H,18,19)
InChIKeyYGTABBIMLNEROY-UHFFFAOYSA-N
XLogP1.84
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid
CID 13082308
4-oxo-3-(piperidin-1-ylmethyl)-4-(1H-pyrrol-3-yl)butanoic acid
CID 22467038
methyl 4-oxo-4-phenyl-3-(piperidin-1-ylmethyl)butanoate
CID 22467076
1,6-diphenyl-2,5-bis(piperidin-1-ylmethyl)hexane-1,6-dione;dihydrochloride
CID 3078025
4-(4-methylphenyl)-3-[(3-methylpiperidin-1-yl)methyl]-4-oxobutanoic acid
CID 82098816
4-(4-methylphenyl)-3-[(4-methylpiperidin-1-yl)methyl]-4-oxobutanoic acid
CID 82098824
N'-[(2S)-1-piperidin-1-ylpropan-2-yl]pyridine-4-carbohydrazide
CID 95561922
4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid
CID 22467106
1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one
CID 58514207
2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione;dihydrochloride
CID 3064490
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
2-(iodomethyl)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 70417168

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid?
The IUPAC name of 4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid (CID 22467013) is 4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid.
What is the SMILES notation for 4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid?
The canonical SMILES for 4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid is O=C(O)CC(CN1CCCCC1)C(=O)c1ccncc1.
What is the InChIKey of 4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid?
The InChIKey is YGTABBIMLNEROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(19)10-13(11-17-8-2-1-3-9-17)15(20)12-4-6-16-7-5-12/h4-7,13H,1-3,8-11H2,(H,18,19).
What are the key properties of 4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid?
4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid is sourced from PubChem (CID 22467013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).