N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide

C22H24N4O2 — CID 97188381

IUPACN-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide
SMILESO=C(NCCn1ncc2ccccc2c1=O)c1ccc([C@H]2CCCNC2)cc1
InChIInChI=1S/C22H24N4O2/c27-21(17-9-7-16(8-10-17)18-5-3-11-23-14-18)24-12-13-26-22(28)20-6-2-1-4-19(20)15-25-26/h1-2,4,6-10,15,18,23H,3,5,11-14H2,(H,24,27)/t18-/m0/s1
InChIKeyFAAUCUJJEJHRMC-SFHVURJKSA-N
MW376.46 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide

N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide (PubChem CID 97188381) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide
PubChem CID97188381
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide
SMILESO=C(NCCn1ncc2ccccc2c1=O)c1ccc([C@H]2CCCNC2)cc1
InChIInChI=1S/C22H24N4O2/c27-21(17-9-7-16(8-10-17)18-5-3-11-23-14-18)24-12-13-26-22(28)20-6-2-1-4-19(20)15-25-26/h1-2,4,6-10,15,18,23H,3,5,11-14H2,(H,24,27)/t18-/m0/s1
InChIKeyFAAUCUJJEJHRMC-SFHVURJKSA-N
XLogP2.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide
CID 72846881
N-[2-(1-oxophthalazin-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155503014
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
N-[2-(1-oxophthalazin-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride
CID 155937998
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
4-piperidin-3-yl-N-(2-pyrazin-2-ylethyl)benzamide
CID 72860445
4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide
CID 97191641
N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide
CID 77082920
N-(2-phenylmethoxyethyl)-4-[(3S)-piperidin-3-yl]benzamide
CID 99928855
1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide
CID 166229178
N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide
CID 77084725
(3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 97131135

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide (CID 97188381) is N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide is O=C(NCCn1ncc2ccccc2c1=O)c1ccc([C@H]2CCCNC2)cc1.
What is the InChIKey of N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is FAAUCUJJEJHRMC-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21(17-9-7-16(8-10-17)18-5-3-11-23-14-18)24-12-13-26-22(28)20-6-2-1-4-19(20)15-25-26/h1-2,4,6-10,15,18,23H,3,5,11-14H2,(H,24,27)/t18-/m0/s1.
What are the key properties of N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide?
N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 97188381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).