3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide

C18H32N2O — CID 659138

IUPAC3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)CCN1CCCCC1)C2
InChIInChI=1S/C18H32N2O/c1-17(2)14-7-9-18(17,3)15(13-14)19-16(21)8-12-20-10-5-4-6-11-20/h14-15H,4-13H2,1-3H3,(H,19,21)
InChIKeyWUNJCWGRLXZQTB-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.19
Rot. Bonds4

About 3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide

3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide (PubChem CID 659138) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide.

Molecular Properties

Compound Name3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
PubChem CID659138
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)CCN1CCCCC1)C2
InChIInChI=1S/C18H32N2O/c1-17(2)14-7-9-18(17,3)15(13-14)19-16(21)8-12-20-10-5-4-6-11-20/h14-15H,4-13H2,1-3H3,(H,19,21)
InChIKeyWUNJCWGRLXZQTB-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The IUPAC name of 3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide (CID 659138) is 3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide.
What is the SMILES notation for 3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The canonical SMILES for 3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide is CC1(C)C2CCC1(C)C(NC(=O)CCN1CCCCC1)C2.
What is the InChIKey of 3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The InChIKey is WUNJCWGRLXZQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-17(2)14-7-9-18(17,3)15(13-14)19-16(21)8-12-20-10-5-4-6-11-20/h14-15H,4-13H2,1-3H3,(H,19,21).
What are the key properties of 3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide has a molecular weight of 292.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide is sourced from PubChem (CID 659138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).