1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid

C16H26N2O3 — CID 107855976

IUPAC1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C16H26N2O3/c1-16(14(19)20)9-5-11-18(12-16)15(21)17-10-8-13-6-3-2-4-7-13/h6H,2-5,7-12H2,1H3,(H,17,21)(H,19,20)
InChIKeyQSEMCGBTUXWIOR-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.77
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid

1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 107855976) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID107855976
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C16H26N2O3/c1-16(14(19)20)9-5-11-18(12-16)15(21)17-10-8-13-6-3-2-4-7-13/h6H,2-5,7-12H2,1H3,(H,17,21)(H,19,20)
InChIKeyQSEMCGBTUXWIOR-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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

3-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103009433
1-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 106040369
2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 107856024
3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106420605
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010199
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122010196
3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166161
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104787
N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110894046
1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137282
N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide
CID 113103397
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid (CID 107855976) is 1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)NCCC2=CCCCC2)C1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is QSEMCGBTUXWIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(14(19)20)9-5-11-18(12-16)15(21)17-10-8-13-6-3-2-4-7-13/h6H,2-5,7-12H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid?
1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 107855976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).