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

C15H28N2O3 — CID 83198068

IUPAC2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCCN(C(=O)N1CCCC(C(C)(C)C(=O)O)C1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-6-17(11(2)3)14(20)16-9-7-8-12(10-16)15(4,5)13(18)19/h11-12H,6-10H2,1-5H3,(H,18,19)
InChIKeyCYNDYIPDQCXHSH-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.66
Rot. Bonds4

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

2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83198068) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83198068
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCCN(C(=O)N1CCCC(C(C)(C)C(=O)O)C1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-6-17(11(2)3)14(20)16-9-7-8-12(10-16)15(4,5)13(18)19/h11-12H,6-10H2,1-5H3,(H,18,19)
InChIKeyCYNDYIPDQCXHSH-UHFFFAOYSA-N
XLogP2.66
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 104553178
2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 83199680
2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199554
2-methyl-2-[1-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 115986673
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689121
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-methyl-2-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]propanoic acid
CID 83197951
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197298
2-[1-(diethylsulfamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198043

Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid (CID 83198068) is 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid is CCN(C(=O)N1CCCC(C(C)(C)C(=O)O)C1)C(C)C.
What is the InChIKey of 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is CYNDYIPDQCXHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-17(11(2)3)14(20)16-9-7-8-12(10-16)15(4,5)13(18)19/h11-12H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83198068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).