1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone

C20H26N2O3 — CID 56813543

IUPAC1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(C2=CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)cc1
InChIInChI=1S/C20H26N2O3/c1-15(23)21-11-9-18(10-12-21)20(24)22-13-7-17(8-14-22)16-3-5-19(25-2)6-4-16/h3-7,18H,8-14H2,1-2H3
InChIKeyXVKIRBOCATYNKJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.57
Rot. Bonds3

About 1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 56813543) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID56813543
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(C2=CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)cc1
InChIInChI=1S/C20H26N2O3/c1-15(23)21-11-9-18(10-12-21)20(24)22-13-7-17(8-14-22)16-3-5-19(25-2)6-4-16/h3-7,18H,8-14H2,1-2H3
InChIKeyXVKIRBOCATYNKJ-UHFFFAOYSA-N
XLogP2.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpiperidin-2-one
CID 94208887
(4-aminocyclohexyl)-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 172894832
(4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
CID 94208971
1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 142929013
cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 17454082
cyclopropyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 39545624
(2S)-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylsulfonylpropan-1-one
CID 94029523
cyclopropyl-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 155513128
[1-(thiophene-2-carbonyl)piperidin-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281068
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 26877456
[1-(furan-2-carbonyl)piperidin-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281116
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 51954414

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone (CID 56813543) is 1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone is COc1ccc(C2=CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is XVKIRBOCATYNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(23)21-11-9-18(10-12-21)20(24)22-13-7-17(8-14-22)16-3-5-19(25-2)6-4-16/h3-7,18H,8-14H2,1-2H3.
What are the key properties of 1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 56813543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).