N-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide

C20H30N2O3 — CID 56792650

IUPACN-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide
SMILESCc1cccc(OCC(=O)N(C)C2CCN(CC3CCOC3)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-16-4-3-5-19(12-16)25-15-20(23)21(2)18-6-9-22(10-7-18)13-17-8-11-24-14-17/h3-5,12,17-18H,6-11,13-15H2,1-2H3
InChIKeyLCXRZCNNMOHEBQ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.33
Rot. Bonds6

About N-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide

N-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 56792650) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide
PubChem CID56792650
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide
SMILESCc1cccc(OCC(=O)N(C)C2CCN(CC3CCOC3)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-16-4-3-5-19(12-16)25-15-20(23)21(2)18-6-9-22(10-7-18)13-17-8-11-24-14-17/h3-5,12,17-18H,6-11,13-15H2,1-2H3
InChIKeyLCXRZCNNMOHEBQ-UHFFFAOYSA-N
XLogP2.33
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide (CID 56792650) is N-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide is Cc1cccc(OCC(=O)N(C)C2CCN(CC3CCOC3)CC2)c1.
What is the InChIKey of N-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is LCXRZCNNMOHEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16-4-3-5-19(12-16)25-15-20(23)21(2)18-6-9-22(10-7-18)13-17-8-11-24-14-17/h3-5,12,17-18H,6-11,13-15H2,1-2H3.
What are the key properties of N-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide?
N-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 56792650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).