N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane

C18H30N2O — CID 155709393

IUPACN,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane
SMILESCC.Cc1ccc(C2CCNCC2)c(CC(=O)N(C)C)c1
InChIInChI=1S/C16H24N2O.C2H6/c1-12-4-5-15(13-6-8-17-9-7-13)14(10-12)11-16(19)18(2)3;1-2/h4-5,10,13,17H,6-9,11H2,1-3H3;1-2H3
InChIKeyRBWWHCPSJDCKQI-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.12
Rot. Bonds3

About N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane

N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane (PubChem CID 155709393) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane
PubChem CID155709393
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane
SMILESCC.Cc1ccc(C2CCNCC2)c(CC(=O)N(C)C)c1
InChIInChI=1S/C16H24N2O.C2H6/c1-12-4-5-15(13-6-8-17-9-7-13)14(10-12)11-16(19)18(2)3;1-2/h4-5,10,13,17H,6-9,11H2,1-3H3;1-2H3
InChIKeyRBWWHCPSJDCKQI-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane?
The IUPAC name of N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane (CID 155709393) is N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane.
What is the SMILES notation for N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane?
The canonical SMILES for N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane is CC.Cc1ccc(C2CCNCC2)c(CC(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane?
The InChIKey is RBWWHCPSJDCKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.C2H6/c1-12-4-5-15(13-6-8-17-9-7-13)14(10-12)11-16(19)18(2)3;1-2/h4-5,10,13,17H,6-9,11H2,1-3H3;1-2H3.
What are the key properties of N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane?
N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane has a molecular weight of 290.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane is sourced from PubChem (CID 155709393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).