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

C33H38N4O2 — CID 57392548

IUPACN-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(C(C)C)cc4)c4ccccc4c3=O)CC2)c1
InChIInChI=1S/C33H38N4O2/c1-23(2)25-12-14-27(15-13-25)32-30-10-4-5-11-31(30)33(39)37(35-32)19-7-18-36-20-16-26(17-21-36)28-8-6-9-29(22-28)34-24(3)38/h4-6,8-15,22-23,26H,7,16-21H2,1-3H3,(H,34,38)
InChIKeyGDEKCPQOTZHLSQ-UHFFFAOYSA-N
MW522.69 g/mol
LogP6.41
Rot. Bonds8

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

N-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 57392548) has the molecular formula C33H38N4O2 and a molecular weight of 522.69 g/mol. Its IUPAC name is N-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID57392548
Molecular FormulaC33H38N4O2
Molecular Weight522.69 g/mol
Exact Mass522.30
IUPAC NameN-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(C(C)C)cc4)c4ccccc4c3=O)CC2)c1
InChIInChI=1S/C33H38N4O2/c1-23(2)25-12-14-27(15-13-25)32-30-10-4-5-11-31(30)33(39)37(35-32)19-7-18-36-20-16-26(17-21-36)28-8-6-9-29(22-28)34-24(3)38/h4-6,8-15,22-23,26H,7,16-21H2,1-3H3,(H,34,38)
InChIKeyGDEKCPQOTZHLSQ-UHFFFAOYSA-N
XLogP6.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 57392548) is N-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(C(C)C)cc4)c4ccccc4c3=O)CC2)c1.
What is the InChIKey of N-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is GDEKCPQOTZHLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O2/c1-23(2)25-12-14-27(15-13-25)32-30-10-4-5-11-31(30)33(39)37(35-32)19-7-18-36-20-16-26(17-21-36)28-8-6-9-29(22-28)34-24(3)38/h4-6,8-15,22-23,26H,7,16-21H2,1-3H3,(H,34,38).
What are the key properties of N-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 522.69 g/mol, XLogP of 6.41, 8 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-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 57392548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).