2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide

C28H28N4O2 — CID 55861209

IUPAC2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cn2nc(-c3ccccc3)c3ccccc3c2=O)CC1
InChIInChI=1S/C28H28N4O2/c1-20-9-5-6-12-23(20)27(33)29-22-15-17-31(18-16-22)19-32-28(34)25-14-8-7-13-24(25)26(30-32)21-10-3-2-4-11-21/h2-14,22H,15-19H2,1H3,(H,29,33)
InChIKeyBEHALUSPOCVVRU-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.22
Rot. Bonds5

About 2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide

2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 55861209) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide
PubChem CID55861209
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cn2nc(-c3ccccc3)c3ccccc3c2=O)CC1
InChIInChI=1S/C28H28N4O2/c1-20-9-5-6-12-23(20)27(33)29-22-15-17-31(18-16-22)19-32-28(34)25-14-8-7-13-24(25)26(30-32)21-10-3-2-4-11-21/h2-14,22H,15-19H2,1H3,(H,29,33)
InChIKeyBEHALUSPOCVVRU-UHFFFAOYSA-N
XLogP4.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55864204
N-[1-[[5-(4-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 55861590
N-[1-[[5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 55861463
N-[1-[(3-cyclopropyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 55861849
N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide
CID 54045835
N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 110009371
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 1445052
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide (CID 55861209) is 2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(Cn2nc(-c3ccccc3)c3ccccc3c2=O)CC1.
What is the InChIKey of 2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is BEHALUSPOCVVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-20-9-5-6-12-23(20)27(33)29-22-15-17-31(18-16-22)19-32-28(34)25-14-8-7-13-24(25)26(30-32)21-10-3-2-4-11-21/h2-14,22H,15-19H2,1H3,(H,29,33).
What are the key properties of 2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide?
2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 452.56 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55861209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).