N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide

C22H27ClN2O2 — CID 134796899

IUPACN-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCCN(Cc2cccc(-c3ccc(C)c(Cl)c3)c2)C1
InChIInChI=1S/C22H27ClN2O2/c1-16-8-9-19(12-21(16)23)18-6-3-5-17(11-18)13-25-10-4-7-20(14-25)24-22(26)15-27-2/h3,5-6,8-9,11-12,20H,4,7,10,13-15H2,1-2H3,(H,24,26)
InChIKeyPAOJQWVCEMNHBU-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.04
Rot. Bonds6

About N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide

N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide (PubChem CID 134796899) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide
PubChem CID134796899
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCCN(Cc2cccc(-c3ccc(C)c(Cl)c3)c2)C1
InChIInChI=1S/C22H27ClN2O2/c1-16-8-9-19(12-21(16)23)18-6-3-5-17(11-18)13-25-10-4-7-20(14-25)24-22(26)15-27-2/h3,5-6,8-9,11-12,20H,4,7,10,13-15H2,1-2H3,(H,24,26)
InChIKeyPAOJQWVCEMNHBU-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide (CID 134796899) is N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide is COCC(=O)NC1CCCN(Cc2cccc(-c3ccc(C)c(Cl)c3)c2)C1.
What is the InChIKey of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide?
The InChIKey is PAOJQWVCEMNHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-16-8-9-19(12-21(16)23)18-6-3-5-17(11-18)13-25-10-4-7-20(14-25)24-22(26)15-27-2/h3,5-6,8-9,11-12,20H,4,7,10,13-15H2,1-2H3,(H,24,26).
What are the key properties of N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide?
N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide has a molecular weight of 386.92 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 134796899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).