1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide

C17H28N2O2 — CID 6465479

IUPAC1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(C)C2CC3CCC2C3)CC1
InChIInChI=1S/C17H28N2O2/c1-11(16-10-13-3-4-15(16)9-13)18-17(21)14-5-7-19(8-6-14)12(2)20/h11,13-16H,3-10H2,1-2H3,(H,18,21)
InChIKeyKUPOWODDZRXZOQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.19
Rot. Bonds3

About 1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide

1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide (PubChem CID 6465479) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
PubChem CID6465479
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(C)C2CC3CCC2C3)CC1
InChIInChI=1S/C17H28N2O2/c1-11(16-10-13-3-4-15(16)9-13)18-17(21)14-5-7-19(8-6-14)12(2)20/h11,13-16H,3-10H2,1-2H3,(H,18,21)
InChIKeyKUPOWODDZRXZOQ-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide (CID 6465479) is 1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC(C)C2CC3CCC2C3)CC1.
What is the InChIKey of 1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide?
The InChIKey is KUPOWODDZRXZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11(16-10-13-3-4-15(16)9-13)18-17(21)14-5-7-19(8-6-14)12(2)20/h11,13-16H,3-10H2,1-2H3,(H,18,21).
What are the key properties of 1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide?
1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 6465479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).