1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid

C16H26N2O3 — CID 114430337

IUPAC1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NCC2CC=CCC2)C(C(=O)O)C1
InChIInChI=1S/C16H26N2O3/c1-2-12-8-9-18(14(10-12)15(19)20)16(21)17-11-13-6-4-3-5-7-13/h3-4,12-14H,2,5-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyWENKCOPWWKYOMG-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.63
Rot. Bonds4

About 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid

1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114430337) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114430337
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NCC2CC=CCC2)C(C(=O)O)C1
InChIInChI=1S/C16H26N2O3/c1-2-12-8-9-18(14(10-12)15(19)20)16(21)17-11-13-6-4-3-5-7-13/h3-4,12-14H,2,5-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyWENKCOPWWKYOMG-UHFFFAOYSA-N
XLogP2.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425494
3-(cyclohex-3-en-1-ylmethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781372
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114430208
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
4-ethyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-2-carboxylic acid
CID 114430229
N-(cyclohex-3-en-1-ylmethyl)-3,5-dimethylpiperidine-1-carboxamide
CID 60593450
1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430528
4-ethyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430520
4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 114430456
(2S,4R)-1-[(4-ethylcyclohexyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843058
1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 106346727
4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114430536

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid (CID 114430337) is 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(C(=O)NCC2CC=CCC2)C(C(=O)O)C1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is WENKCOPWWKYOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-12-8-9-18(14(10-12)15(19)20)16(21)17-11-13-6-4-3-5-7-13/h3-4,12-14H,2,5-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid?
1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114430337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).