N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide

C17H30N2O — CID 62211711

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide
SMILESCC(NC(=O)CCC1CCCCN1)C1CC2CCC1C2
InChIInChI=1S/C17H30N2O/c1-12(16-11-13-5-6-14(16)10-13)19-17(20)8-7-15-4-2-3-9-18-15/h12-16,18H,2-11H2,1H3,(H,19,20)
InChIKeyWTNUBTACYOFSMI-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.85
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide (PubChem CID 62211711) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide
PubChem CID62211711
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide
SMILESCC(NC(=O)CCC1CCCCN1)C1CC2CCC1C2
InChIInChI=1S/C17H30N2O/c1-12(16-11-13-5-6-14(16)10-13)19-17(20)8-7-15-4-2-3-9-18-15/h12-16,18H,2-11H2,1H3,(H,19,20)
InChIKeyWTNUBTACYOFSMI-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide (CID 62211711) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide is CC(NC(=O)CCC1CCCCN1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide?
The InChIKey is WTNUBTACYOFSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(16-11-13-5-6-14(16)10-13)19-17(20)8-7-15-4-2-3-9-18-15/h12-16,18H,2-11H2,1H3,(H,19,20).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide has a molecular weight of 278.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 62211711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).