1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one

C31H37N3O3 — CID 45215944

IUPAC1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one
SMILESCOc1ccccc1CCn1c(C)cc(=O)c(C(=O)N2CCN(C3CCc4ccccc4C3)CC2)c1C
InChIInChI=1S/C31H37N3O3/c1-22-20-28(35)30(23(2)34(22)15-14-25-9-6-7-11-29(25)37-3)31(36)33-18-16-32(17-19-33)27-13-12-24-8-4-5-10-26(24)21-27/h4-11,20,27H,12-19,21H2,1-3H3
InChIKeyONMFNJKQGCQNBW-UHFFFAOYSA-N
MW499.66 g/mol
LogP4.03
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one

1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one (PubChem CID 45215944) has the molecular formula C31H37N3O3 and a molecular weight of 499.66 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one
PubChem CID45215944
Molecular FormulaC31H37N3O3
Molecular Weight499.66 g/mol
Exact Mass499.28
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one
SMILESCOc1ccccc1CCn1c(C)cc(=O)c(C(=O)N2CCN(C3CCc4ccccc4C3)CC2)c1C
InChIInChI=1S/C31H37N3O3/c1-22-20-28(35)30(23(2)34(22)15-14-25-9-6-7-11-29(25)37-3)31(36)33-18-16-32(17-19-33)27-13-12-24-8-4-5-10-26(24)21-27/h4-11,20,27H,12-19,21H2,1-3H3
InChIKeyONMFNJKQGCQNBW-UHFFFAOYSA-N
XLogP4.03
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one with MolForge

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Related Compounds

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 42436493
1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 7441356
(2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95708503
1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide
CID 26330920
(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95720627
(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56913190
1-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 110399849
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 18456289
2H-benzotriazol-5-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56910480
ethyl 4-[1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-4-oxopyridine-3-carbonyl]piperazine-1-carboxylate
CID 42344375
4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione
CID 99944895
1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95727435

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one (CID 45215944) is 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one is COc1ccccc1CCn1c(C)cc(=O)c(C(=O)N2CCN(C3CCc4ccccc4C3)CC2)c1C.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one?
The InChIKey is ONMFNJKQGCQNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O3/c1-22-20-28(35)30(23(2)34(22)15-14-25-9-6-7-11-29(25)37-3)31(36)33-18-16-32(17-19-33)27-13-12-24-8-4-5-10-26(24)21-27/h4-11,20,27H,12-19,21H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one?
1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one has a molecular weight of 499.66 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]pyridin-4-one is sourced from PubChem (CID 45215944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).