2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

C20H29N3O4 — CID 91906173

IUPAC2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(C(=O)c2cccnc2C)CC1
InChIInChI=1S/C20H29N3O4/c1-15-18(4-3-9-21-15)20(25)22-10-5-16(6-11-22)23(19(24)14-26-2)17-7-12-27-13-8-17/h3-4,9,16-17H,5-8,10-14H2,1-2H3
InChIKeyODOCWYAGAYHSBD-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.65
Rot. Bonds5

About 2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (PubChem CID 91906173) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
PubChem CID91906173
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(C(=O)c2cccnc2C)CC1
InChIInChI=1S/C20H29N3O4/c1-15-18(4-3-9-21-15)20(25)22-10-5-16(6-11-22)23(19(24)14-26-2)17-7-12-27-13-8-17/h3-4,9,16-17H,5-8,10-14H2,1-2H3
InChIKeyODOCWYAGAYHSBD-UHFFFAOYSA-N
XLogP1.65
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (CID 91906173) is 2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is COCC(=O)N(C1CCOCC1)C1CCN(C(=O)c2cccnc2C)CC1.
What is the InChIKey of 2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is ODOCWYAGAYHSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-15-18(4-3-9-21-15)20(25)22-10-5-16(6-11-22)23(19(24)14-26-2)17-7-12-27-13-8-17/h3-4,9,16-17H,5-8,10-14H2,1-2H3.
What are the key properties of 2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 91906173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).