[(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone

C19H29N3O3 — CID 95619935

IUPAC[(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1c(C)cnc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)c1C
InChIInChI=1S/C19H29N3O3/c1-14-12-20-16(15(2)18(14)24-3)13-22-7-5-4-6-17(22)19(23)21-8-10-25-11-9-21/h12,17H,4-11,13H2,1-3H3/t17-/m1/s1
InChIKeyYKBLRJVTRNWEBV-QGZVFWFLSA-N
MW347.46 g/mol
LogP1.92
Rot. Bonds4

About [(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone

[(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 95619935) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
PubChem CID95619935
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1c(C)cnc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)c1C
InChIInChI=1S/C19H29N3O3/c1-14-12-20-16(15(2)18(14)24-3)13-22-7-5-4-6-17(22)19(23)21-8-10-25-11-9-21/h12,17H,4-11,13H2,1-3H3/t17-/m1/s1
InChIKeyYKBLRJVTRNWEBV-QGZVFWFLSA-N
XLogP1.92
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone (CID 95619935) is [(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone is COc1c(C)cnc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)c1C.
What is the InChIKey of [(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is YKBLRJVTRNWEBV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-12-20-16(15(2)18(14)24-3)13-22-7-5-4-6-17(22)19(23)21-8-10-25-11-9-21/h12,17H,4-11,13H2,1-3H3/t17-/m1/s1.
What are the key properties of [(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone?
[(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 347.46 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 95619935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).