ethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine

C18H32N2O — CID 142129018

IUPACethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine
SMILESCC.CC(=O)NC1=C(C)C=CCC=C1.CC1CCNCC1
InChIInChI=1S/C10H13NO.C6H13N.C2H6/c1-8-6-4-3-5-7-10(8)11-9(2)12;1-6-2-4-7-5-3-6;1-2/h4-7H,3H2,1-2H3,(H,11,12);6-7H,2-5H2,1H3;1-2H3
InChIKeyCBVNTHZFUKUJOA-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.94
Rot. Bonds1

About ethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine

ethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine (PubChem CID 142129018) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is ethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine.

Molecular Properties

Compound Nameethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine
PubChem CID142129018
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Nameethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine
SMILESCC.CC(=O)NC1=C(C)C=CCC=C1.CC1CCNCC1
InChIInChI=1S/C10H13NO.C6H13N.C2H6/c1-8-6-4-3-5-7-10(8)11-9(2)12;1-6-2-4-7-5-3-6;1-2/h4-7H,3H2,1-2H3,(H,11,12);6-7H,2-5H2,1H3;1-2H3
InChIKeyCBVNTHZFUKUJOA-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine?
The IUPAC name of ethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine (CID 142129018) is ethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine.
What is the SMILES notation for ethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine?
The canonical SMILES for ethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine is CC.CC(=O)NC1=C(C)C=CCC=C1.CC1CCNCC1.
What is the InChIKey of ethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine?
The InChIKey is CBVNTHZFUKUJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C6H13N.C2H6/c1-8-6-4-3-5-7-10(8)11-9(2)12;1-6-2-4-7-5-3-6;1-2/h4-7H,3H2,1-2H3,(H,11,12);6-7H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine?
ethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine has a molecular weight of 292.47 g/mol, XLogP of 3.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylcyclohepta-1,3,6-trien-1-yl)acetamide;4-methylpiperidine is sourced from PubChem (CID 142129018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).