3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid

C14H24N2O4 — CID 62821049

IUPAC3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid
SMILESCCN(C(=O)C1CCN(C(C)=O)CC1)C(C)CC(=O)O
InChIInChI=1S/C14H24N2O4/c1-4-16(10(2)9-13(18)19)14(20)12-5-7-15(8-6-12)11(3)17/h10,12H,4-9H2,1-3H3,(H,18,19)
InChIKeyNCQXDNWKUAERST-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.96
Rot. Bonds5

About 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid

3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid (PubChem CID 62821049) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid.

Molecular Properties

Compound Name3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid
PubChem CID62821049
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid
SMILESCCN(C(=O)C1CCN(C(C)=O)CC1)C(C)CC(=O)O
InChIInChI=1S/C14H24N2O4/c1-4-16(10(2)9-13(18)19)14(20)12-5-7-15(8-6-12)11(3)17/h10,12H,4-9H2,1-3H3,(H,18,19)
InChIKeyNCQXDNWKUAERST-UHFFFAOYSA-N
XLogP0.96
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]butanoic acid
CID 62820513
3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 62826701
2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid
CID 79266328
3-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(ethyl)amino]butanoic acid
CID 82749686
3-[ethyl-(5-methyloxolane-2-carbonyl)amino]butanoic acid
CID 81324296
3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid
CID 62821547
3-[ethyl(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)amino]butanoic acid
CID 66369719
3-[(1,1-dioxothiane-2-carbonyl)-ethylamino]butanoic acid
CID 104517569
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
3-[ethyl-[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 61006656
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 157028642

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid?
The IUPAC name of 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid (CID 62821049) is 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid.
What is the SMILES notation for 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid?
The canonical SMILES for 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid is CCN(C(=O)C1CCN(C(C)=O)CC1)C(C)CC(=O)O.
What is the InChIKey of 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid?
The InChIKey is NCQXDNWKUAERST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-4-16(10(2)9-13(18)19)14(20)12-5-7-15(8-6-12)11(3)17/h10,12H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid?
3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid is sourced from PubChem (CID 62821049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).