N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide

C24H25N5O5 — CID 5073296

IUPACN-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)N3CCC(C(N)=O)CC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H25N5O5/c1-34-17-8-6-16(7-9-17)29-24(33)19-5-3-2-4-18(19)21(27-29)23(32)26-14-20(30)28-12-10-15(11-13-28)22(25)31/h2-9,15H,10-14H2,1H3,(H2,25,31)(H,26,32)
InChIKeyDOLNZEQFNYQWOE-UHFFFAOYSA-N
MW463.49 g/mol
LogP0.85
Rot. Bonds6

About N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide

N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 5073296) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID5073296
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC NameN-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)N3CCC(C(N)=O)CC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H25N5O5/c1-34-17-8-6-16(7-9-17)29-24(33)19-5-3-2-4-18(19)21(27-29)23(32)26-14-20(30)28-12-10-15(11-13-28)22(25)31/h2-9,15H,10-14H2,1H3,(H2,25,31)(H,26,32)
InChIKeyDOLNZEQFNYQWOE-UHFFFAOYSA-N
XLogP0.85
TPSA136.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
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4-[(4-methoxyanilino)methyl]-1(2H)-phthalazinone
CID 1482305
5-Isobutyryl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10074286
5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10434440
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9419018
N-(4-methoxyphenyl)-4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzamide
CID 1087197
2-Methoxy-5-({[4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]carbonyl}amino)benzamide
CID 1292688
2-methoxy-N-methyl-5-{[3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanoyl]amino}benzamide
CID 1887616
N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)acetamide
CID 758934
2-(2,4-dimethoxyphenyl)-4-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}phthalazin-1(2H)-one
CID 3240907
N-[3-[1-[3-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57399487

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide (CID 5073296) is N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide is COc1ccc(-n2nc(C(=O)NCC(=O)N3CCC(C(N)=O)CC3)c3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is DOLNZEQFNYQWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-34-17-8-6-16(7-9-17)29-24(33)19-5-3-2-4-18(19)21(27-29)23(32)26-14-20(30)28-12-10-15(11-13-28)22(25)31/h2-9,15H,10-14H2,1H3,(H2,25,31)(H,26,32).
What are the key properties of N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 5073296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).