4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid

C16H28N2O3 — CID 114431840

IUPAC4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(C)C(=O)N2CCCCC2)C(C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-3-13-7-10-18(14(11-13)16(20)21)12(2)15(19)17-8-5-4-6-9-17/h12-14H,3-11H2,1-2H3,(H,20,21)
InChIKeyNWXHMBLCRYYZLC-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.96
Rot. Bonds4

About 4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid

4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid (PubChem CID 114431840) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid
PubChem CID114431840
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(C)C(=O)N2CCCCC2)C(C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-3-13-7-10-18(14(11-13)16(20)21)12(2)15(19)17-8-5-4-6-9-17/h12-14H,3-11H2,1-2H3,(H,20,21)
InChIKeyNWXHMBLCRYYZLC-UHFFFAOYSA-N
XLogP1.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid
CID 114430684
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid
CID 114431702
4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
CID 114430632
1-(azepan-1-yl)-2-[(3-ethylcyclohexyl)amino]propan-1-one
CID 64741045
2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 60769000
1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114429643
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 63760688
1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid
CID 114431174
4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid
CID 114430884
2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one
CID 104689975
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114430208
1-(azepan-1-yl)-2-[(2-ethylcyclopropyl)amino]propan-1-one
CID 114108217

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid (CID 114431840) is 4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid is CCC1CCN(C(C)C(=O)N2CCCCC2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid?
The InChIKey is NWXHMBLCRYYZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-13-7-10-18(14(11-13)16(20)21)12(2)15(19)17-8-5-4-6-9-17/h12-14H,3-11H2,1-2H3,(H,20,21).
What are the key properties of 4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid?
4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114431840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).