4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid

C14H24N2O4 — CID 43437467

IUPAC4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N1CCC(C(N)=O)CC1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-3-14(4-2,13(19)20)9-11(17)16-7-5-10(6-8-16)12(15)18/h10H,3-9H2,1-2H3,(H2,15,18)(H,19,20)
InChIKeyDHCKUCRZYHAARK-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.99
Rot. Bonds6

About 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid

4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid (PubChem CID 43437467) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid
PubChem CID43437467
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N1CCC(C(N)=O)CC1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-3-14(4-2,13(19)20)9-11(17)16-7-5-10(6-8-16)12(15)18/h10H,3-9H2,1-2H3,(H2,15,18)(H,19,20)
InChIKeyDHCKUCRZYHAARK-UHFFFAOYSA-N
XLogP0.99
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid (CID 43437467) is 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid is CCC(CC)(CC(=O)N1CCC(C(N)=O)CC1)C(=O)O.
What is the InChIKey of 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is DHCKUCRZYHAARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-14(4-2,13(19)20)9-11(17)16-7-5-10(6-8-16)12(15)18/h10H,3-9H2,1-2H3,(H2,15,18)(H,19,20).
What are the key properties of 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid?
4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 43437467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).