2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide

C23H24N4O3 — CID 1309824

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c(=O)c2ccccc12
InChIInChI=1S/C23H24N4O3/c1-16-19-7-3-4-8-20(19)23(30)27(25-16)15-21(28)24-18-11-9-17(10-12-18)22(29)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,24,28)
InChIKeyRHBHSSATSWYCRG-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.97
Rot. Bonds4

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 1309824) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID1309824
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c(=O)c2ccccc12
InChIInChI=1S/C23H24N4O3/c1-16-19-7-3-4-8-20(19)23(30)27(25-16)15-21(28)24-18-11-9-17(10-12-18)22(29)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,24,28)
InChIKeyRHBHSSATSWYCRG-UHFFFAOYSA-N
XLogP2.97
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-arylphthalazin-1(2H)-3,4-Di-F
CID 56835134
Enpp-1-IN-19
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CID 970816
4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide
CID 168272772
N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 709340
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1122989
4-(anilinomethyl)-1(2H)-phthalazinone
CID 1482294
4-({3-[(4-Phenylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133279
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CID 25133280
2-(4-methylpiperazin-1-yl)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11269254
5-Acetyl-4-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10961351

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide (CID 1309824) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide is Cc1nn(CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is RHBHSSATSWYCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-19-7-3-4-8-20(19)23(30)27(25-16)15-21(28)24-18-11-9-17(10-12-18)22(29)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,24,28).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 1309824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).