1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one

C19H28N2O4 — CID 136567969

IUPAC1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one
SMILESO=C(CCCn1ccccc1=O)N1CCOCC1CC1CCOCC1
InChIInChI=1S/C19H28N2O4/c22-18-4-1-2-8-20(18)9-3-5-19(23)21-10-13-25-15-17(21)14-16-6-11-24-12-7-16/h1-2,4,8,16-17H,3,5-7,9-15H2
InChIKeyKHCWENCZGKQEGD-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.67
Rot. Bonds6

About 1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one

1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one (PubChem CID 136567969) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one
PubChem CID136567969
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one
SMILESO=C(CCCn1ccccc1=O)N1CCOCC1CC1CCOCC1
InChIInChI=1S/C19H28N2O4/c22-18-4-1-2-8-20(18)9-3-5-19(23)21-10-13-25-15-17(21)14-16-6-11-24-12-7-16/h1-2,4,8,16-17H,3,5-7,9-15H2
InChIKeyKHCWENCZGKQEGD-UHFFFAOYSA-N
XLogP1.67
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
CID 136567968
1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 164634429
1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 66261805
3-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 136566373
3-[oxan-4-yl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid
CID 122146451
1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one
CID 116636217
(4R)-4-[2-[(3R)-3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]oxolan-2-one
CID 125419823
1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one
CID 115270975
2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid
CID 129470037
[3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone
CID 136566386
ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate
CID 165488230
1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one
CID 115270907

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one?
The IUPAC name of 1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one (CID 136567969) is 1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one.
What is the SMILES notation for 1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one?
The canonical SMILES for 1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one is O=C(CCCn1ccccc1=O)N1CCOCC1CC1CCOCC1.
What is the InChIKey of 1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one?
The InChIKey is KHCWENCZGKQEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c22-18-4-1-2-8-20(18)9-3-5-19(23)21-10-13-25-15-17(21)14-16-6-11-24-12-7-16/h1-2,4,8,16-17H,3,5-7,9-15H2.
What are the key properties of 1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one?
1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one has a molecular weight of 348.44 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one is sourced from PubChem (CID 136567969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).