N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide

C18H24N4O2 — CID 25444498

IUPACN-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NN2[C@H](C)CCC[C@H]2C)c2ccccc2c1=O
InChIInChI=1S/C18H24N4O2/c1-4-21-18(24)15-11-6-5-10-14(15)16(19-21)17(23)20-22-12(2)8-7-9-13(22)3/h5-6,10-13H,4,7-9H2,1-3H3,(H,20,23)/t12-,13-/m1/s1
InChIKeyAFFNSCXFOREVFW-CHWSQXEVSA-N
MW328.42 g/mol
LogP2.32
Rot. Bonds3

About N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide

N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide (PubChem CID 25444498) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide
PubChem CID25444498
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NN2[C@H](C)CCC[C@H]2C)c2ccccc2c1=O
InChIInChI=1S/C18H24N4O2/c1-4-21-18(24)15-11-6-5-10-14(15)16(19-21)17(23)20-22-12(2)8-7-9-13(22)3/h5-6,10-13H,4,7-9H2,1-3H3,(H,20,23)/t12-,13-/m1/s1
InChIKeyAFFNSCXFOREVFW-CHWSQXEVSA-N
XLogP2.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide with MolForge

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Related Compounds

N-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 26712081
N-(3-cyclopentylsulfonylphenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 39209393
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7979954
N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-3-carboxamide
CID 78974865
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 55659910
N-[(Z)-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 9462821
3-ethyl-N'-(1-methylsulfonylpiperidine-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 16580980
N'-[(3R)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbonyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 124736422
N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7733216
3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 4543224

Frequently Asked Questions

What is the IUPAC name of N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide (CID 25444498) is N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide is CCn1nc(C(=O)NN2[C@H](C)CCC[C@H]2C)c2ccccc2c1=O.
What is the InChIKey of N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide?
The InChIKey is AFFNSCXFOREVFW-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-21-18(24)15-11-6-5-10-14(15)16(19-21)17(23)20-22-12(2)8-7-9-13(22)3/h5-6,10-13H,4,7-9H2,1-3H3,(H,20,23)/t12-,13-/m1/s1.
What are the key properties of N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide?
N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-ethyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 25444498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).