3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide

C18H29N3O2 — CID 146402335

IUPAC3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(C)c(OCC(C)(C)C(=O)NC2CCN(C)CC2)n1
InChIInChI=1S/C18H29N3O2/c1-13-6-7-14(2)19-16(13)23-12-18(3,4)17(22)20-15-8-10-21(5)11-9-15/h6-7,15H,8-12H2,1-5H3,(H,20,22)
InChIKeyBRJRBIXSMCDLOP-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.31
Rot. Bonds5

About 3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide

3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 146402335) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID146402335
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(C)c(OCC(C)(C)C(=O)NC2CCN(C)CC2)n1
InChIInChI=1S/C18H29N3O2/c1-13-6-7-14(2)19-16(13)23-12-18(3,4)17(22)20-15-8-10-21(5)11-9-15/h6-7,15H,8-12H2,1-5H3,(H,20,22)
InChIKeyBRJRBIXSMCDLOP-UHFFFAOYSA-N
XLogP2.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide (CID 146402335) is 3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide is Cc1ccc(C)c(OCC(C)(C)C(=O)NC2CCN(C)CC2)n1.
What is the InChIKey of 3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is BRJRBIXSMCDLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13-6-7-14(2)19-16(13)23-12-18(3,4)17(22)20-15-8-10-21(5)11-9-15/h6-7,15H,8-12H2,1-5H3,(H,20,22).
What are the key properties of 3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 146402335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).