N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide

C16H28N2O — CID 55231835

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)NCC1CC2CCC1C2
InChIInChI=1S/C16H28N2O/c19-16(7-6-15-3-1-2-8-17-15)18-11-14-10-12-4-5-13(14)9-12/h12-15,17H,1-11H2,(H,18,19)
InChIKeyFWKKLKNTSWRKLH-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.46
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide (PubChem CID 55231835) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide
PubChem CID55231835
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)NCC1CC2CCC1C2
InChIInChI=1S/C16H28N2O/c19-16(7-6-15-3-1-2-8-17-15)18-11-14-10-12-4-5-13(14)9-12/h12-15,17H,1-11H2,(H,18,19)
InChIKeyFWKKLKNTSWRKLH-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide (CID 55231835) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide is O=C(CCC1CCCCN1)NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide?
The InChIKey is FWKKLKNTSWRKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-16(7-6-15-3-1-2-8-17-15)18-11-14-10-12-4-5-13(14)9-12/h12-15,17H,1-11H2,(H,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide has a molecular weight of 264.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 55231835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).