3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide

C25H28N4O6 — CID 171676603

IUPAC3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)C2)cc(OC)c1OC
InChIInChI=1S/C25H28N4O6/c1-33-20-11-15(12-21(34-2)23(20)35-3)24(31)26-16-7-6-10-29(14-16)22(30)13-19-17-8-4-5-9-18(17)25(32)28-27-19/h4-5,8-9,11-12,16H,6-7,10,13-14H2,1-3H3,(H,26,31)(H,28,32)
InChIKeyPFOSLZCUOHZEAL-UHFFFAOYSA-N
MW480.52 g/mol
LogP1.91
Rot. Bonds7

About 3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide

3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide (PubChem CID 171676603) has the molecular formula C25H28N4O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide
PubChem CID171676603
Molecular FormulaC25H28N4O6
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC Name3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)C2)cc(OC)c1OC
InChIInChI=1S/C25H28N4O6/c1-33-20-11-15(12-21(34-2)23(20)35-3)24(31)26-16-7-6-10-29(14-16)22(30)13-19-17-8-4-5-9-18(17)25(32)28-27-19/h4-5,8-9,11-12,16H,6-7,10,13-14H2,1-3H3,(H,26,31)(H,28,32)
InChIKeyPFOSLZCUOHZEAL-UHFFFAOYSA-N
XLogP1.91
TPSA122.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide 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

4-[2-oxo-2-[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]ethyl]-2H-phthalazin-1-one
CID 3858869
3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45205527
4-[2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 146125893
4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 9070423
4-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 166196668
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 51473384
4-[2-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 4997518
4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 24626134
2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 45370778

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide (CID 171676603) is 3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide is COc1cc(C(=O)NC2CCCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)C2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide?
The InChIKey is PFOSLZCUOHZEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O6/c1-33-20-11-15(12-21(34-2)23(20)35-3)24(31)26-16-7-6-10-29(14-16)22(30)13-19-17-8-4-5-9-18(17)25(32)28-27-19/h4-5,8-9,11-12,16H,6-7,10,13-14H2,1-3H3,(H,26,31)(H,28,32).
What are the key properties of 3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide?
3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide has a molecular weight of 480.52 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 171676603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).