1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one

C22H22N2O2 — CID 164622870

IUPAC1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one
SMILESO=C(CCc1ccncc1-c1ccc2ccccc2c1)N1CCOCC1
InChIInChI=1S/C22H22N2O2/c25-22(24-11-13-26-14-12-24)8-7-18-9-10-23-16-21(18)20-6-5-17-3-1-2-4-19(17)15-20/h1-6,9-10,15-16H,7-8,11-14H2
InChIKeyYYDMRMFFKNWYSK-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.69
Rot. Bonds4

About 1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one

1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one (PubChem CID 164622870) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one
PubChem CID164622870
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one
SMILESO=C(CCc1ccncc1-c1ccc2ccccc2c1)N1CCOCC1
InChIInChI=1S/C22H22N2O2/c25-22(24-11-13-26-14-12-24)8-7-18-9-10-23-16-21(18)20-6-5-17-3-1-2-4-19(17)15-20/h1-6,9-10,15-16H,7-8,11-14H2
InChIKeyYYDMRMFFKNWYSK-UHFFFAOYSA-N
XLogP3.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one (CID 164622870) is 1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one is O=C(CCc1ccncc1-c1ccc2ccccc2c1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one?
The InChIKey is YYDMRMFFKNWYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-22(24-11-13-26-14-12-24)8-7-18-9-10-23-16-21(18)20-6-5-17-3-1-2-4-19(17)15-20/h1-6,9-10,15-16H,7-8,11-14H2.
What are the key properties of 1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one?
1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one has a molecular weight of 346.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one is sourced from PubChem (CID 164622870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).