[3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C20H21NO2 — CID 38168300

IUPAC[3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCOCc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1
InChIInChI=1S/C20H21NO2/c1-23-15-16-6-5-9-19(14-16)20(22)21-12-10-18(11-13-21)17-7-3-2-4-8-17/h2-10,14H,11-13,15H2,1H3
InChIKeyVZCDCVCWNNLQKN-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.76
Rot. Bonds4

About [3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 38168300) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is [3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID38168300
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name[3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCOCc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1
InChIInChI=1S/C20H21NO2/c1-23-15-16-6-5-9-19(14-16)20(22)21-12-10-18(11-13-21)17-7-3-2-4-8-17/h2-10,14H,11-13,15H2,1H3
InChIKeyVZCDCVCWNNLQKN-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38295435
N-methoxy-N-methyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 38168338
2-(3-methoxyphenyl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 38167963
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(methoxymethyl)phenyl]methanone
CID 38209435
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70769674
[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 125171560
(4-benzhydrylpiperazin-4-ium-1-yl)-[3-(methoxymethyl)phenyl]methanone
CID 9041223
(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 61292889
[4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 9209986
[4-(dimethylamino)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38167889
[(3R)-3-aminopyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119413252

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 38168300) is [3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is COCc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1.
What is the InChIKey of [3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is VZCDCVCWNNLQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-23-15-16-6-5-9-19(14-16)20(22)21-12-10-18(11-13-21)17-7-3-2-4-8-17/h2-10,14H,11-13,15H2,1H3.
What are the key properties of [3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 307.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 38168300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).