N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide

C22H30N2O2 — CID 69061667

IUPACN-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
SMILESCCN(C)C(=O)c1ccc2cc(OC3CCN(C(C)C)CC3)ccc2c1
InChIInChI=1S/C22H30N2O2/c1-5-23(4)22(25)19-7-6-18-15-21(9-8-17(18)14-19)26-20-10-12-24(13-11-20)16(2)3/h6-9,14-16,20H,5,10-13H2,1-4H3
InChIKeyPSJBXDWLBVRMIY-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.18
Rot. Bonds5

About N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide

N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide (PubChem CID 69061667) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
PubChem CID69061667
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
SMILESCCN(C)C(=O)c1ccc2cc(OC3CCN(C(C)C)CC3)ccc2c1
InChIInChI=1S/C22H30N2O2/c1-5-23(4)22(25)19-7-6-18-15-21(9-8-17(18)14-19)26-20-10-12-24(13-11-20)16(2)3/h6-9,14-16,20H,5,10-13H2,1-4H3
InChIKeyPSJBXDWLBVRMIY-UHFFFAOYSA-N
XLogP4.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide?
The IUPAC name of N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide (CID 69061667) is N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide is CCN(C)C(=O)c1ccc2cc(OC3CCN(C(C)C)CC3)ccc2c1.
What is the InChIKey of N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide?
The InChIKey is PSJBXDWLBVRMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-5-23(4)22(25)19-7-6-18-15-21(9-8-17(18)14-19)26-20-10-12-24(13-11-20)16(2)3/h6-9,14-16,20H,5,10-13H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide?
N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide is sourced from PubChem (CID 69061667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).