(3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone

C21H20N2O2 — CID 167986271

IUPAC(3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccc2)c1)N1CCOCC1c1ccccc1
InChIInChI=1S/C21H20N2O2/c24-21(18-9-6-10-19(15-18)22-11-4-5-12-22)23-13-14-25-16-20(23)17-7-2-1-3-8-17/h1-12,15,20H,13-14,16H2
InChIKeyBRVMEHBJZNRBCW-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.69
Rot. Bonds3

About (3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone

(3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone (PubChem CID 167986271) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone
PubChem CID167986271
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccc2)c1)N1CCOCC1c1ccccc1
InChIInChI=1S/C21H20N2O2/c24-21(18-9-6-10-19(15-18)22-11-4-5-12-22)23-13-14-25-16-20(23)17-7-2-1-3-8-17/h1-12,15,20H,13-14,16H2
InChIKeyBRVMEHBJZNRBCW-UHFFFAOYSA-N
XLogP3.69
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-(3-phenylmorpholin-4-yl)methanone
CID 110728336
[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124955150
[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124990692
[2-(oxolan-3-yloxy)-4-pyridinyl]-(3-phenylmorpholin-4-yl)methanone
CID 127840607
(3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 110309886
1-(3-pyrrol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 119164521
[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 41265479
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 47168279
1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17402282
2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119337230
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242

Frequently Asked Questions

What is the IUPAC name of (3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone (CID 167986271) is (3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone is O=C(c1cccc(-n2cccc2)c1)N1CCOCC1c1ccccc1.
What is the InChIKey of (3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone?
The InChIKey is BRVMEHBJZNRBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(18-9-6-10-19(15-18)22-11-4-5-12-22)23-13-14-25-16-20(23)17-7-2-1-3-8-17/h1-12,15,20H,13-14,16H2.
What are the key properties of (3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone?
(3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone has a molecular weight of 332.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 167986271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).