1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid

C14H23NO3 — CID 83147613

IUPAC1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)C(C)C2CC2)C1
InChIInChI=1S/C14H23NO3/c1-3-14(13(17)18)7-4-8-15(9-14)12(16)10(2)11-5-6-11/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyZORUKPIHBTWDTQ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.14
Rot. Bonds4

About 1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid

1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 83147613) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID83147613
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)C(C)C2CC2)C1
InChIInChI=1S/C14H23NO3/c1-3-14(13(17)18)7-4-8-15(9-14)12(16)10(2)11-5-6-11/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyZORUKPIHBTWDTQ-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164336
1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 106112823
1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid
CID 65068729
1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid
CID 65068968
1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164151
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136624
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63135824
3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136060
3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63136382

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid (CID 83147613) is 1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)C(C)C2CC2)C1.
What is the InChIKey of 1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is ZORUKPIHBTWDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-14(13(17)18)7-4-8-15(9-14)12(16)10(2)11-5-6-11/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid?
1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 83147613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).