N-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide

C30H32N4O2 — CID 57401250

IUPACN-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccccc4)c4ccccc4c3=O)CC2)c1
InChIInChI=1S/C30H32N4O2/c1-22(35)31-26-12-7-11-25(21-26)23-15-19-33(20-16-23)17-8-18-34-30(36)28-14-6-5-13-27(28)29(32-34)24-9-3-2-4-10-24/h2-7,9-14,21,23H,8,15-20H2,1H3,(H,31,35)
InChIKeyFDLFQOJULDFUDV-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.29
Rot. Bonds7

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

N-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 57401250) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID57401250
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC NameN-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccccc4)c4ccccc4c3=O)CC2)c1
InChIInChI=1S/C30H32N4O2/c1-22(35)31-26-12-7-11-25(21-26)23-15-19-33(20-16-23)17-8-18-34-30(36)28-14-6-5-13-27(28)29(32-34)24-9-3-2-4-10-24/h2-7,9-14,21,23H,8,15-20H2,1H3,(H,31,35)
InChIKeyFDLFQOJULDFUDV-UHFFFAOYSA-N
XLogP5.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide (CID 57401250) is N-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccccc4)c4ccccc4c3=O)CC2)c1.
What is the InChIKey of N-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is FDLFQOJULDFUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-22(35)31-26-12-7-11-25(21-26)23-15-19-33(20-16-23)17-8-18-34-30(36)28-14-6-5-13-27(28)29(32-34)24-9-3-2-4-10-24/h2-7,9-14,21,23H,8,15-20H2,1H3,(H,31,35).
What are the key properties of N-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 480.61 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(1-oxo-4-phenylphthalazin-2-yl)propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 57401250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).