2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid

C13H22N2O3 — CID 114156215

IUPAC2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid
SMILESCC(C)=CCNC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-10(2)3-6-14-13(18)15-7-4-11(5-8-15)9-12(16)17/h3,11H,4-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeySPSBSLMIBUZJHG-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.85
Rot. Bonds4

About 2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid

2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid (PubChem CID 114156215) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid
PubChem CID114156215
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid
SMILESCC(C)=CCNC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-10(2)3-6-14-13(18)15-7-4-11(5-8-15)9-12(16)17/h3,11H,4-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeySPSBSLMIBUZJHG-UHFFFAOYSA-N
XLogP1.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.85
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

N-(3-methylbut-2-enyl)azetidine-1-carboxamide
CID 130669860
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608907
2-[8-(3-methylbut-2-enylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 106191293
2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]acetic acid
CID 78980454
2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79612545
2-[1-(3-methoxypropylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608847
3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid
CID 106191160
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid
CID 106005309
2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608340
2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79605623

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid (CID 114156215) is 2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid is CC(C)=CCNC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid?
The InChIKey is SPSBSLMIBUZJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(2)3-6-14-13(18)15-7-4-11(5-8-15)9-12(16)17/h3,11H,4-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid?
2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 114156215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).