2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide

C15H26N2O — CID 47114450

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)CC2CC3CCC2C3)CC1
InChIInChI=1S/C15H26N2O/c1-17-6-4-14(5-7-17)16-15(18)10-13-9-11-2-3-12(13)8-11/h11-14H,2-10H2,1H3,(H,16,18)
InChIKeyPZSTYZNDHJOONB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.02
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 47114450) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID47114450
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)CC2CC3CCC2C3)CC1
InChIInChI=1S/C15H26N2O/c1-17-6-4-14(5-7-17)16-15(18)10-13-9-11-2-3-12(13)8-11/h11-14H,2-10H2,1H3,(H,16,18)
InChIKeyPZSTYZNDHJOONB-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide (CID 47114450) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(NC(=O)CC2CC3CCC2C3)CC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is PZSTYZNDHJOONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-17-6-4-14(5-7-17)16-15(18)10-13-9-11-2-3-12(13)8-11/h11-14H,2-10H2,1H3,(H,16,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 250.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 47114450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).