1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide

C22H24N4O2 — CID 75452882

IUPAC1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nnc(-c3ccc(OC)cc3)c3ccccc23)C1
InChIInChI=1S/C22H24N4O2/c1-23-22(27)16-6-5-13-26(14-16)21-19-8-4-3-7-18(19)20(24-25-21)15-9-11-17(28-2)12-10-15/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,23,27)
InChIKeyPIJDPIFLMKVRKB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.27
Rot. Bonds4

About 1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide

1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide (PubChem CID 75452882) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide
PubChem CID75452882
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nnc(-c3ccc(OC)cc3)c3ccccc23)C1
InChIInChI=1S/C22H24N4O2/c1-23-22(27)16-6-5-13-26(14-16)21-19-8-4-3-7-18(19)20(24-25-21)15-9-11-17(28-2)12-10-15/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,23,27)
InChIKeyPIJDPIFLMKVRKB-UHFFFAOYSA-N
XLogP3.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine;ethane
CID 142337470
N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 166605152
N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070397
tert-butyl formate;1-(4-methoxyphenyl)-4-[(3S)-3-methylpiperazin-1-yl]phthalazine
CID 174622475
(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047724
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425
3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 103197754
methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate
CID 108773382
1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]-N-methylpiperidine-3-carboxamide
CID 20920524

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide (CID 75452882) is 1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2nnc(-c3ccc(OC)cc3)c3ccccc23)C1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide?
The InChIKey is PIJDPIFLMKVRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-23-22(27)16-6-5-13-26(14-16)21-19-8-4-3-7-18(19)20(24-25-21)15-9-11-17(28-2)12-10-15/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,23,27).
What are the key properties of 1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide?
1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)phthalazin-1-yl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 75452882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).