N-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide

C27H30N6O2 — CID 142713105

IUPACN-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3nc(-n4ccnc4)c4ccccc4c3=O)CC2)c1
InChIInChI=1S/C27H30N6O2/c1-20(34)29-23-7-4-6-22(18-23)21-10-15-31(16-11-21)13-5-14-33-27(35)25-9-3-2-8-24(25)26(30-33)32-17-12-28-19-32/h2-4,6-9,12,17-19,21H,5,10-11,13-16H2,1H3,(H,29,34)
InChIKeyCYSIIPYLBLBNJD-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.81
Rot. Bonds7

About N-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 142713105) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID142713105
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC NameN-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3nc(-n4ccnc4)c4ccccc4c3=O)CC2)c1
InChIInChI=1S/C27H30N6O2/c1-20(34)29-23-7-4-6-22(18-23)21-10-15-31(16-11-21)13-5-14-33-27(35)25-9-3-2-8-24(25)26(30-33)32-17-12-28-19-32/h2-4,6-9,12,17-19,21H,5,10-11,13-16H2,1H3,(H,29,34)
InChIKeyCYSIIPYLBLBNJD-UHFFFAOYSA-N
XLogP3.81
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[1-[3-[4-(4-chloropiperidin-1-yl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 71727449
N-[3-[1-[3-[4-[(4-chlorophenyl)methyl]-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 71726848
N-[3-[1-[3-[4-(4-chlorophenyl)sulfanyl-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 71726980
N-[3-[1-[3-[4-(4-chlorophenyl)sulfonyl-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 71727102
N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 142711580
N-[3-[1-[3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 66548851
N-[3-[1-[3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]benzamide
CID 66546247
N-[3-[1-[3-[2-(pyridin-2-ylmethyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 59365369
N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
CID 16756402
N-[3-[1-[5-(2-phenylbenzimidazol-1-yl)pentyl]piperidin-4-yl]phenyl]acetamide
CID 25115852
N-[3-[1-[3-(6-bromo-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-4-yl]phenyl]acetamide
CID 59365347
N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25116307

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide (CID 142713105) is N-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3nc(-n4ccnc4)c4ccccc4c3=O)CC2)c1.
What is the InChIKey of N-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is CYSIIPYLBLBNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-20(34)29-23-7-4-6-22(18-23)21-10-15-31(16-11-21)13-5-14-33-27(35)25-9-3-2-8-24(25)26(30-33)32-17-12-28-19-32/h2-4,6-9,12,17-19,21H,5,10-11,13-16H2,1H3,(H,29,34).
What are the key properties of N-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 470.58 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(4-imidazol-1-yl-1-oxophthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 142713105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).