2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one

C18H26N2O4 — CID 155910877

IUPAC2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one
SMILESCCCC[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H](C2CC2)O1
InChIInChI=1S/C18H26N2O4/c1-3-4-5-13-10-20(11-17(24-13)12-6-7-12)18(22)14-8-15(21)16(23-2)9-19-14/h8-9,12-13,17H,3-7,10-11H2,1-2H3,(H,19,21)/t13-,17-/m1/s1
InChIKeyOEJPOHGOSAKEQZ-CXAGYDPISA-N
MW334.42 g/mol
LogP2.19
Rot. Bonds6

About 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one

2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one (PubChem CID 155910877) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one
PubChem CID155910877
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one
SMILESCCCC[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H](C2CC2)O1
InChIInChI=1S/C18H26N2O4/c1-3-4-5-13-10-20(11-17(24-13)12-6-7-12)18(22)14-8-15(21)16(23-2)9-19-14/h8-9,12-13,17H,3-7,10-11H2,1-2H3,(H,19,21)/t13-,17-/m1/s1
InChIKeyOEJPOHGOSAKEQZ-CXAGYDPISA-N
XLogP2.19
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one with MolForge

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Related Compounds

[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(4-methoxy-2-pyridinyl)methanone
CID 134712136
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone
CID 134713725
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone
CID 134712177
(3aR,7aS)-2-(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138384978
5-methoxy-2-[2-(2-phenylethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
CID 56873403
2-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]sulfonyl-4-methoxyphenyl]acetic acid
CID 155918815
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 155508884
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 155505099
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 155502885
2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 154569215
(2R,6S)-2-butyl-6-cyclopropyl-4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]morpholine
CID 155916221
1-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 134702820

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one (CID 155910877) is 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one is CCCC[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H](C2CC2)O1.
What is the InChIKey of 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one?
The InChIKey is OEJPOHGOSAKEQZ-CXAGYDPISA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-4-5-13-10-20(11-17(24-13)12-6-7-12)18(22)14-8-15(21)16(23-2)9-19-14/h8-9,12-13,17H,3-7,10-11H2,1-2H3,(H,19,21)/t13-,17-/m1/s1.
What are the key properties of 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one?
2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one has a molecular weight of 334.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 155910877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).