1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one

C23H23N3O3 — CID 55956458

IUPAC1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one
SMILESCc1ccc(C(=O)C2CCN(C(=O)Cn3ncc(=O)c4ccccc43)CC2)cc1
InChIInChI=1S/C23H23N3O3/c1-16-6-8-17(9-7-16)23(29)18-10-12-25(13-11-18)22(28)15-26-20-5-3-2-4-19(20)21(27)14-24-26/h2-9,14,18H,10-13,15H2,1H3
InChIKeyIKNNBXNCBNMMQN-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.83
Rot. Bonds4

About 1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one

1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one (PubChem CID 55956458) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one
PubChem CID55956458
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one
SMILESCc1ccc(C(=O)C2CCN(C(=O)Cn3ncc(=O)c4ccccc43)CC2)cc1
InChIInChI=1S/C23H23N3O3/c1-16-6-8-17(9-7-16)23(29)18-10-12-25(13-11-18)22(28)15-26-20-5-3-2-4-19(20)21(27)14-24-26/h2-9,14,18H,10-13,15H2,1H3
InChIKeyIKNNBXNCBNMMQN-UHFFFAOYSA-N
XLogP2.83
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-methyl-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-4-carboxamide
CID 55949640
1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 134042332
1-[3-(4-oxocinnolin-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 126776520
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 8969458
10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one
CID 33179862
8-methyl-3-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55956332
1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 97024362
(2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid
CID 129352878
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
1-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 9077285
N-(4-methylphenyl)-3-(4-oxocinnolin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 86934310
1-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 87028056

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one?
The IUPAC name of 1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one (CID 55956458) is 1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one.
What is the SMILES notation for 1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one?
The canonical SMILES for 1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one is Cc1ccc(C(=O)C2CCN(C(=O)Cn3ncc(=O)c4ccccc43)CC2)cc1.
What is the InChIKey of 1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one?
The InChIKey is IKNNBXNCBNMMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-6-8-17(9-7-16)23(29)18-10-12-25(13-11-18)22(28)15-26-20-5-3-2-4-19(20)21(27)14-24-26/h2-9,14,18H,10-13,15H2,1H3.
What are the key properties of 1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one?
1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one has a molecular weight of 389.46 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one is sourced from PubChem (CID 55956458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).