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

C15H24N2O3 — CID 114425494

IUPAC1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCC2CC=CCC2)C(C(=O)O)C1
InChIInChI=1S/C15H24N2O3/c1-11-7-8-17(13(9-11)14(18)19)15(20)16-10-12-5-3-2-4-6-12/h2-3,11-13H,4-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyNVZUGEZTXRTITK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.24
Rot. Bonds3

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

1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425494) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114425494
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCC2CC=CCC2)C(C(=O)O)C1
InChIInChI=1S/C15H24N2O3/c1-11-7-8-17(13(9-11)14(18)19)15(20)16-10-12-5-3-2-4-6-12/h2-3,11-13H,4-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyNVZUGEZTXRTITK-UHFFFAOYSA-N
XLogP2.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.24
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

(2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 7529591
(2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 16682053
2-Acetamido-4-(4-acetamidocyclohexa-2,5-dien-1-yl)butanoic acid
CID 45359443
(2S)-2-[(3-but-3-enylpiperidine-1-carbonyl)amino]-2-cyclohexylacetic acid
CID 66896848
2-[[3-Chloropropanoyl(methyl)carbamoyl]amino]-2-cyclohex-3-en-1-ylacetic acid
CID 70634274
2-[(3-But-3-enylpiperidine-1-carbonyl)amino]-2-cyclohexylacetic acid
CID 77164773
1-[Hex-5-enyl(methyl)carbamoyl]-4-propan-2-ylpiperidine-2-carboxylic acid
CID 90788436
2-[(Z)-4-aminobut-2-enyl]piperidine-1,2-dicarboxylic acid
CID 139371529
2-(4-Aminobut-2-enyl)piperidine-1,2-dicarboxylic acid
CID 139371530
(2R)-3-cyclohexa-1,4-dien-1-yl-2-(ethylcarbamoylamino)propanoic acid
CID 148248601
2-[2-(Cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 3325202
2-[2-(Cyclohexen-1-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 4654005

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid (CID 114425494) is 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)NCC2CC=CCC2)C(C(=O)O)C1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is NVZUGEZTXRTITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-7-8-17(13(9-11)14(18)19)15(20)16-10-12-5-3-2-4-6-12/h2-3,11-13H,4-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.24, 3 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-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).