4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid

C15H26N2O3 — CID 4228156

IUPAC4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid
SMILESCCCN1CCC(N(C(=O)CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-9-16-10-7-13(8-11-16)17(12-3-4-12)14(18)5-6-15(19)20/h12-13H,2-11H2,1H3,(H,19,20)
InChIKeyMOHMUQYBQQGTLL-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.72
Rot. Bonds7

About 4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid

4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid (PubChem CID 4228156) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid
PubChem CID4228156
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid
SMILESCCCN1CCC(N(C(=O)CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-9-16-10-7-13(8-11-16)17(12-3-4-12)14(18)5-6-15(19)20/h12-13H,2-11H2,1H3,(H,19,20)
InChIKeyMOHMUQYBQQGTLL-UHFFFAOYSA-N
XLogP1.72
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Oxo-4-(piperidin-1-yl)butanoic acid
CID 792860
4-[Cyclohexyl(methyl)amino]-4-oxobutanoic acid
CID 974695
4-(2,6-Dimethylpiperidin-1-yl)-4-oxo-butyric acid
CID 3102906
4-[Cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 3559936
4-[(1-Acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid
CID 4133220
4-[(2R,6S)-2,6-Dimethylpiperidin-1-YL]-4-oxobutanoic acid
CID 822867
4-Oxo-4-(4-propan-2-ylpiperazin-1-yl)butanoic acid
CID 2050715
4-(4-sec-Butylpiperazin-1-yl)-4-oxobutanoic acid
CID 2757331
4-(4-Cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
CID 4742011
4-[Methyl(1-methylpiperidin-4-YL)amino]-4-oxobutanoic acid
CID 16795916
4-Amino-I(3)-oxo-1-piperidinebutanoic acid
CID 17609617
3-(4-Piperidinopiperidinocarbonyl)propionic acid
CID 19358571

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid (CID 4228156) is 4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid is CCCN1CCC(N(C(=O)CCC(=O)O)C2CC2)CC1.
What is the InChIKey of 4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The InChIKey is MOHMUQYBQQGTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-9-16-10-7-13(8-11-16)17(12-3-4-12)14(18)5-6-15(19)20/h12-13H,2-11H2,1H3,(H,19,20).
What are the key properties of 4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid?
4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 4228156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).