N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide

C23H30N2O2 — CID 134803198

IUPACN-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCCN(Cc2ccc(-c3cc(C)cc(C)c3)cc2)C1
InChIInChI=1S/C23H30N2O2/c1-17-11-18(2)13-21(12-17)20-8-6-19(7-9-20)14-25-10-4-5-22(15-25)24-23(26)16-27-3/h6-9,11-13,22H,4-5,10,14-16H2,1-3H3,(H,24,26)
InChIKeyXSWDCNQVXBERSG-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.70
Rot. Bonds6

About N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide

N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide (PubChem CID 134803198) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide
PubChem CID134803198
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCCN(Cc2ccc(-c3cc(C)cc(C)c3)cc2)C1
InChIInChI=1S/C23H30N2O2/c1-17-11-18(2)13-21(12-17)20-8-6-19(7-9-20)14-25-10-4-5-22(15-25)24-23(26)16-27-3/h6-9,11-13,22H,4-5,10,14-16H2,1-3H3,(H,24,26)
InChIKeyXSWDCNQVXBERSG-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide (CID 134803198) is N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide is COCC(=O)NC1CCCN(Cc2ccc(-c3cc(C)cc(C)c3)cc2)C1.
What is the InChIKey of N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide?
The InChIKey is XSWDCNQVXBERSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-11-18(2)13-21(12-17)20-8-6-19(7-9-20)14-25-10-4-5-22(15-25)24-23(26)16-27-3/h6-9,11-13,22H,4-5,10,14-16H2,1-3H3,(H,24,26).
What are the key properties of N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide?
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide has a molecular weight of 366.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 134803198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).