1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

C16H26N2O3 — CID 122010196

IUPAC1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCC2=CCCCCC2)CC1
InChIInChI=1S/C16H26N2O3/c19-15(20)14-8-11-18(12-9-14)16(21)17-10-7-13-5-3-1-2-4-6-13/h5,14H,1-4,6-12H2,(H,17,21)(H,19,20)
InChIKeyWSNGSNCFTGRHOF-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.77
Rot. Bonds4

About 1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122010196) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122010196
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCC2=CCCCCC2)CC1
InChIInChI=1S/C16H26N2O3/c19-15(20)14-8-11-18(12-9-14)16(21)17-10-7-13-5-3-1-2-4-6-13/h5,14H,1-4,6-12H2,(H,17,21)(H,19,20)
InChIKeyWSNGSNCFTGRHOF-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

1-[2-(cyclohepten-1-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010199
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113104871
N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide
CID 113103397
1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid
CID 82476753
2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 107856024
1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106178428
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 119073948
1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190
N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110894046
3-[1-[2-(cyclopenten-1-yl)ethylcarbamoyl]pyrrolidin-3-yl]propanoic acid
CID 106178480
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 75414050
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46295211

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 122010196) is 1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCCC2=CCCCCC2)CC1.
What is the InChIKey of 1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is WSNGSNCFTGRHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-15(20)14-8-11-18(12-9-14)16(21)17-10-7-13-5-3-1-2-4-6-13/h5,14H,1-4,6-12H2,(H,17,21)(H,19,20).
What are the key properties of 1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-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-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122010196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).