2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide

C19H30N2O3 — CID 23723551

IUPAC2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
SMILESCOCC(=O)N(C)CC1CCCN(CCc2ccccc2OC)C1
InChIInChI=1S/C19H30N2O3/c1-20(19(22)15-23-2)13-16-7-6-11-21(14-16)12-10-17-8-4-5-9-18(17)24-3/h4-5,8-9,16H,6-7,10-15H2,1-3H3
InChIKeyFHVNOXKYWCUPEK-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.05
Rot. Bonds8

About 2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide

2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide (PubChem CID 23723551) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
PubChem CID23723551
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
SMILESCOCC(=O)N(C)CC1CCCN(CCc2ccccc2OC)C1
InChIInChI=1S/C19H30N2O3/c1-20(19(22)15-23-2)13-16-7-6-11-21(14-16)12-10-17-8-4-5-9-18(17)24-3/h4-5,8-9,16H,6-7,10-15H2,1-3H3
InChIKeyFHVNOXKYWCUPEK-UHFFFAOYSA-N
XLogP2.05
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide (CID 23723551) is 2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide is COCC(=O)N(C)CC1CCCN(CCc2ccccc2OC)C1.
What is the InChIKey of 2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide?
The InChIKey is FHVNOXKYWCUPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-20(19(22)15-23-2)13-16-7-6-11-21(14-16)12-10-17-8-4-5-9-18(17)24-3/h4-5,8-9,16H,6-7,10-15H2,1-3H3.
What are the key properties of 2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide?
2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide has a molecular weight of 334.46 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 23723551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).