2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide

C16H30N2O2 — CID 120576393

IUPAC2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC(OC1CCCCCC1)C(=O)NC1CCCNC1C
InChIInChI=1S/C16H30N2O2/c1-12-15(10-7-11-17-12)18-16(19)13(2)20-14-8-5-3-4-6-9-14/h12-15,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyAAZCLNFRFKRKPU-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.37
Rot. Bonds4

About 2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide

2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide (PubChem CID 120576393) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide
PubChem CID120576393
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC(OC1CCCCCC1)C(=O)NC1CCCNC1C
InChIInChI=1S/C16H30N2O2/c1-12-15(10-7-11-17-12)18-16(19)13(2)20-14-8-5-3-4-6-9-14/h12-15,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyAAZCLNFRFKRKPU-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide?
The IUPAC name of 2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide (CID 120576393) is 2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide is CC(OC1CCCCCC1)C(=O)NC1CCCNC1C.
What is the InChIKey of 2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide?
The InChIKey is AAZCLNFRFKRKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-15(10-7-11-17-12)18-16(19)13(2)20-14-8-5-3-4-6-9-14/h12-15,17H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide?
2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide has a molecular weight of 282.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 120576393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).