2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid

C16H30N2O3 — CID 83199554

IUPAC2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCCCCN(CC)C(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C16H30N2O3/c1-5-7-10-17(6-2)15(21)18-11-8-9-13(12-18)16(3,4)14(19)20/h13H,5-12H2,1-4H3,(H,19,20)
InChIKeyKZTCMPIUYLSITK-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.05
Rot. Bonds6

About 2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid

2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83199554) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83199554
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCCCCN(CC)C(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C16H30N2O3/c1-5-7-10-17(6-2)15(21)18-11-8-9-13(12-18)16(3,4)14(19)20/h13H,5-12H2,1-4H3,(H,19,20)
InChIKeyKZTCMPIUYLSITK-UHFFFAOYSA-N
XLogP3.05
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198068
2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 83199680
2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 104553178
2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 107146398
2-methyl-2-[1-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 115986673
2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199545
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-[1-(2-ethylpyrrolidine-1-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83199688
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide
CID 79162694
2-methyl-2-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]propanoic acid
CID 83197951
2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 83199957

Frequently Asked Questions

What is the IUPAC name of 2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid (CID 83199554) is 2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid is CCCCN(CC)C(=O)N1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is KZTCMPIUYLSITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-7-10-17(6-2)15(21)18-11-8-9-13(12-18)16(3,4)14(19)20/h13H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83199554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).