4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid

C16H28N2O3 — CID 60941523

IUPAC4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NC1CCN(C2CC2)CC1)C(=O)O
InChIInChI=1S/C16H28N2O3/c1-3-16(4-2,15(20)21)11-14(19)17-12-7-9-18(10-8-12)13-5-6-13/h12-13H,3-11H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyVMCFBRMLRPSNDJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.01
Rot. Bonds7

About 4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid

4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid (PubChem CID 60941523) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid
PubChem CID60941523
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NC1CCN(C2CC2)CC1)C(=O)O
InChIInChI=1S/C16H28N2O3/c1-3-16(4-2,15(20)21)11-14(19)17-12-7-9-18(10-8-12)13-5-6-13/h12-13H,3-11H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyVMCFBRMLRPSNDJ-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid (CID 60941523) is 4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid is CCC(CC)(CC(=O)NC1CCN(C2CC2)CC1)C(=O)O.
What is the InChIKey of 4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is VMCFBRMLRPSNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-16(4-2,15(20)21)11-14(19)17-12-7-9-18(10-8-12)13-5-6-13/h12-13H,3-11H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid?
4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 296.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 60941523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).