5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one

C23H28N4O2 — CID 156808557

IUPAC5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one
SMILESCC1CC=C(c2ccc(=O)n(CC(=O)N3CCN(c4cccnc4)CC3)c2)CC1
InChIInChI=1S/C23H28N4O2/c1-18-4-6-19(7-5-18)20-8-9-22(28)27(16-20)17-23(29)26-13-11-25(12-14-26)21-3-2-10-24-15-21/h2-3,6,8-10,15-16,18H,4-5,7,11-14,17H2,1H3
InChIKeyASCKSHUJPXHJMA-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.80
Rot. Bonds4

About 5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one

5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one (PubChem CID 156808557) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one
PubChem CID156808557
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one
SMILESCC1CC=C(c2ccc(=O)n(CC(=O)N3CCN(c4cccnc4)CC3)c2)CC1
InChIInChI=1S/C23H28N4O2/c1-18-4-6-19(7-5-18)20-8-9-22(28)27(16-20)17-23(29)26-13-11-25(12-14-26)21-3-2-10-24-15-21/h2-3,6,8-10,15-16,18H,4-5,7,11-14,17H2,1H3
InChIKeyASCKSHUJPXHJMA-UHFFFAOYSA-N
XLogP2.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one with MolForge

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Related Compounds

2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 129075134
2-chloro-1-(4-pyridin-3-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 167917546
5-[3-oxo-3-(4-pyridin-3-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 70736756
2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
CID 121052540
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 2105680
4-cyclopropyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 121116894
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
CID 169213851
N,N-diethyl-6-oxo-1-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridine-3-sulfonamide
CID 55483121
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622
2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid
CID 176809221
1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one
CID 53040462

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one (CID 156808557) is 5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one is CC1CC=C(c2ccc(=O)n(CC(=O)N3CCN(c4cccnc4)CC3)c2)CC1.
What is the InChIKey of 5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one?
The InChIKey is ASCKSHUJPXHJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-18-4-6-19(7-5-18)20-8-9-22(28)27(16-20)17-23(29)26-13-11-25(12-14-26)21-3-2-10-24-15-21/h2-3,6,8-10,15-16,18H,4-5,7,11-14,17H2,1H3.
What are the key properties of 5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one?
5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one has a molecular weight of 392.50 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylcyclohexen-1-yl)-1-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 156808557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).