N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide

C16H30N2O2 — CID 103876547

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide
SMILESCCOC1CC(NC(=O)CCC2CCNCC2)C1(C)C
InChIInChI=1S/C16H30N2O2/c1-4-20-14-11-13(16(14,2)3)18-15(19)6-5-12-7-9-17-10-8-12/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeySIONBBHTHBXCSM-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.09
Rot. Bonds6

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide

N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide (PubChem CID 103876547) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide
PubChem CID103876547
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide
SMILESCCOC1CC(NC(=O)CCC2CCNCC2)C1(C)C
InChIInChI=1S/C16H30N2O2/c1-4-20-14-11-13(16(14,2)3)18-15(19)6-5-12-7-9-17-10-8-12/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeySIONBBHTHBXCSM-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide (CID 103876547) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide is CCOC1CC(NC(=O)CCC2CCNCC2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide?
The InChIKey is SIONBBHTHBXCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-20-14-11-13(16(14,2)3)18-15(19)6-5-12-7-9-17-10-8-12/h12-14,17H,4-11H2,1-3H3,(H,18,19).
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide has a molecular weight of 282.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 103876547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).