1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid

C14H20N2O4 — CID 138033210

IUPAC1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid
SMILESCNC(=O)C1CCN(C(=O)C2(C(=O)O)CC=CC2)CC1
InChIInChI=1S/C14H20N2O4/c1-15-11(17)10-4-8-16(9-5-10)12(18)14(13(19)20)6-2-3-7-14/h2-3,10H,4-9H2,1H3,(H,15,17)(H,19,20)
InChIKeyKLLMQMAOIQKBSA-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.39
Rot. Bonds3

About 1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid

1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid (PubChem CID 138033210) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid
PubChem CID138033210
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid
SMILESCNC(=O)C1CCN(C(=O)C2(C(=O)O)CC=CC2)CC1
InChIInChI=1S/C14H20N2O4/c1-15-11(17)10-4-8-16(9-5-10)12(18)14(13(19)20)6-2-3-7-14/h2-3,10H,4-9H2,1H3,(H,15,17)(H,19,20)
InChIKeyKLLMQMAOIQKBSA-UHFFFAOYSA-N
XLogP0.39
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 80590062
1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide
CID 80596930
1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 103941342
1-(1-aminocyclohexanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 43579511
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
4-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63784854
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
1-(3-bromoadamantane-1-carbonyl)-N-methylpiperidine-4-carboxamide
CID 134041991
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide
CID 64617367
N-methyl-1-sulfanylpiperidine-4-carboxamide
CID 88912319
1-(2,2-diphenylacetyl)-N-methylpiperidine-4-carboxamide
CID 110350749

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid?
The IUPAC name of 1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid (CID 138033210) is 1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for 1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid is CNC(=O)C1CCN(C(=O)C2(C(=O)O)CC=CC2)CC1.
What is the InChIKey of 1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid?
The InChIKey is KLLMQMAOIQKBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-15-11(17)10-4-8-16(9-5-10)12(18)14(13(19)20)6-2-3-7-14/h2-3,10H,4-9H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid?
1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 138033210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).