1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one

C19H21BrN2O2 — CID 110632312

IUPAC1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one
SMILESO=C(CCCc1cccnc1)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H21BrN2O2/c20-17-8-6-16(7-9-17)18-14-22(11-12-24-18)19(23)5-1-3-15-4-2-10-21-13-15/h2,4,6-10,13,18H,1,3,5,11-12,14H2
InChIKeyWBNBACBQMNDMPI-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.77
Rot. Bonds5

About 1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one

1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one (PubChem CID 110632312) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one
PubChem CID110632312
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one
SMILESO=C(CCCc1cccnc1)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H21BrN2O2/c20-17-8-6-16(7-9-17)18-14-22(11-12-24-18)19(23)5-1-3-15-4-2-10-21-13-15/h2,4,6-10,13,18H,1,3,5,11-12,14H2
InChIKeyWBNBACBQMNDMPI-UHFFFAOYSA-N
XLogP3.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 127246248
1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124976068
3-[methyl(pyridin-3-ylmethyl)amino]-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102620
4-(5-pyridin-3-ylpentanoyl)-1,4-oxazepane-6-carboxylic acid
CID 138385702
1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 125010165
methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate
CID 110664958
1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 95554855
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 121134473
4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120561194
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110610624
1-[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124995314
1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 47913307

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one?
The IUPAC name of 1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one (CID 110632312) is 1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one.
What is the SMILES notation for 1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one?
The canonical SMILES for 1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one is O=C(CCCc1cccnc1)N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one?
The InChIKey is WBNBACBQMNDMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c20-17-8-6-16(7-9-17)18-14-22(11-12-24-18)19(23)5-1-3-15-4-2-10-21-13-15/h2,4,6-10,13,18H,1,3,5,11-12,14H2.
What are the key properties of 1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one?
1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one has a molecular weight of 389.29 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)morpholin-4-yl]-4-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 110632312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).