N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide

C16H24N2O — CID 67562994

IUPACN-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide
SMILESCC1=CCC=C(N(C)C(=O)CN2CCCCC2)C=C1
InChIInChI=1S/C16H24N2O/c1-14-7-6-8-15(10-9-14)17(2)16(19)13-18-11-4-3-5-12-18/h7-10H,3-6,11-13H2,1-2H3
InChIKeyRPVAFNWHPAUGBR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.72
Rot. Bonds3

About N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide

N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide (PubChem CID 67562994) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide
PubChem CID67562994
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide
SMILESCC1=CCC=C(N(C)C(=O)CN2CCCCC2)C=C1
InChIInChI=1S/C16H24N2O/c1-14-7-6-8-15(10-9-14)17(2)16(19)13-18-11-4-3-5-12-18/h7-10H,3-6,11-13H2,1-2H3
InChIKeyRPVAFNWHPAUGBR-UHFFFAOYSA-N
XLogP2.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide (CID 67562994) is N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide is CC1=CCC=C(N(C)C(=O)CN2CCCCC2)C=C1.
What is the InChIKey of N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide?
The InChIKey is RPVAFNWHPAUGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-14-7-6-8-15(10-9-14)17(2)16(19)13-18-11-4-3-5-12-18/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide?
N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide has a molecular weight of 260.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 67562994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).