[2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone

C16H23N3O3 — CID 110268187

IUPAC[2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCC1(C(=O)N2CCOCC2)CN(Cc2ccccn2)CCO1
InChIInChI=1S/C16H23N3O3/c1-16(15(20)19-7-9-21-10-8-19)13-18(6-11-22-16)12-14-4-2-3-5-17-14/h2-5H,6-13H2,1H3
InChIKeyJLSAFAUOBPZJBZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.53
Rot. Bonds3

About [2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone

[2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110268187) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
PubChem CID110268187
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCC1(C(=O)N2CCOCC2)CN(Cc2ccccn2)CCO1
InChIInChI=1S/C16H23N3O3/c1-16(15(20)19-7-9-21-10-8-19)13-18(6-11-22-16)12-14-4-2-3-5-17-14/h2-5H,6-13H2,1H3
InChIKeyJLSAFAUOBPZJBZ-UHFFFAOYSA-N
XLogP0.53
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone (CID 110268187) is [2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone is CC1(C(=O)N2CCOCC2)CN(Cc2ccccn2)CCO1.
What is the InChIKey of [2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is JLSAFAUOBPZJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(15(20)19-7-9-21-10-8-19)13-18(6-11-22-16)12-14-4-2-3-5-17-14/h2-5H,6-13H2,1H3.
What are the key properties of [2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone?
[2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 305.38 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(pyridin-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110268187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).