4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid

C14H22N2O4 — CID 4133220

IUPAC4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid
SMILESCC(=O)N1CCC(N(C(=O)CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C14H22N2O4/c1-10(17)15-8-6-12(7-9-15)16(11-2-3-11)13(18)4-5-14(19)20/h11-12H,2-9H2,1H3,(H,19,20)
InChIKeyKRSSIFAFSUYJJQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.85
Rot. Bonds5

About 4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid

4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid (PubChem CID 4133220) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid
PubChem CID4133220
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid
SMILESCC(=O)N1CCC(N(C(=O)CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C14H22N2O4/c1-10(17)15-8-6-12(7-9-15)16(11-2-3-11)13(18)4-5-14(19)20/h11-12H,2-9H2,1H3,(H,19,20)
InChIKeyKRSSIFAFSUYJJQ-UHFFFAOYSA-N
XLogP0.85
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[Cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 4228156
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
4-[(1-Methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 20719691
4-(2-Ethylpiperidin-1-yl)-4-oxobutanoic acid
CID 43213006

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid (CID 4133220) is 4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid is CC(=O)N1CCC(N(C(=O)CCC(=O)O)C2CC2)CC1.
What is the InChIKey of 4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid?
The InChIKey is KRSSIFAFSUYJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(17)15-8-6-12(7-9-15)16(11-2-3-11)13(18)4-5-14(19)20/h11-12H,2-9H2,1H3,(H,19,20).
What are the key properties of 4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid?
4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid has a molecular weight of 282.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid is sourced from PubChem (CID 4133220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).