1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

C20H21NO — CID 14970526

IUPAC1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESO=C(CCN1CC=C(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H21NO/c22-20(19-9-5-2-6-10-19)13-16-21-14-11-18(12-15-21)17-7-3-1-4-8-17/h1-11H,12-16H2
InChIKeyOSRVKAUUJYWPIH-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.05
Rot. Bonds5

About 1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 14970526) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID14970526
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESO=C(CCN1CC=C(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H21NO/c22-20(19-9-5-2-6-10-19)13-16-21-14-11-18(12-15-21)17-7-3-1-4-8-17/h1-11H,12-16H2
InChIKeyOSRVKAUUJYWPIH-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tolperisone
CID 5511
Melperone
CID 15387
Diethylpropion
CID 7029
Eperisone
CID 3236
Diethylpropion Hydrochloride
CID 91442
Tolperisone Hydrochloride
CID 92965
Melperone hydrochloride
CID 9926325
Eperisone Hydrochloride
CID 123698
1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
CID 92844
Lenperone
CID 32593
3-(Dimethylamino)-1-phenyl-1-propanone
CID 77042
3-Piperidinopropiophenone hydrochloride
CID 70171

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 14970526) is 1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is O=C(CCN1CC=C(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is OSRVKAUUJYWPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c22-20(19-9-5-2-6-10-19)13-16-21-14-11-18(12-15-21)17-7-3-1-4-8-17/h1-11H,12-16H2.
What are the key properties of 1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 14970526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).