1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid

C12H18N2O4 — CID 55035164

IUPAC1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESNC(=O)C1CCCN(C(=O)C2(C(=O)O)CCC2)C1
InChIInChI=1S/C12H18N2O4/c13-9(15)8-3-1-6-14(7-8)10(16)12(11(17)18)4-2-5-12/h8H,1-7H2,(H2,13,15)(H,17,18)
InChIKeyAFXJXYYVICRJCQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.03
Rot. Bonds3

About 1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid

1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 55035164) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID55035164
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESNC(=O)C1CCCN(C(=O)C2(C(=O)O)CCC2)C1
InChIInChI=1S/C12H18N2O4/c13-9(15)8-3-1-6-14(7-8)10(16)12(11(17)18)4-2-5-12/h8H,1-7H2,(H2,13,15)(H,17,18)
InChIKeyAFXJXYYVICRJCQ-UHFFFAOYSA-N
XLogP-0.03
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62096399
1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 103941342
1-(adamantane-1-carbonyl)piperidine-3-carboxamide
CID 128950015
1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161145
1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62097142
1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120691009
(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide
CID 172908529
2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662901
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
1-[(E)-C-aminocarbonohydrazonoyl]piperidine-3-carboxamide
CID 126972262
1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide
CID 103195835
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cyclobutane-1-carboxylic acid
CID 115561076

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid (CID 55035164) is 1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid is NC(=O)C1CCCN(C(=O)C2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is AFXJXYYVICRJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c13-9(15)8-3-1-6-14(7-8)10(16)12(11(17)18)4-2-5-12/h8H,1-7H2,(H2,13,15)(H,17,18).
What are the key properties of 1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 55035164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).