N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide

C24H28N4O2 — CID 2953328

IUPACN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCCCC1
InChIInChI=1S/C24H28N4O2/c1-3-9-22(29)25-20-16-17(12-13-21(20)28-14-7-4-8-15-28)23-18-10-5-6-11-19(18)24(30-2)27-26-23/h5-6,10-13,16H,3-4,7-9,14-15H2,1-2H3,(H,25,29)
InChIKeyKODQHCBJULSTOL-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.03
Rot. Bonds6

About N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide

N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide (PubChem CID 2953328) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide
PubChem CID2953328
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCCCC1
InChIInChI=1S/C24H28N4O2/c1-3-9-22(29)25-20-16-17(12-13-21(20)28-14-7-4-8-15-28)23-18-10-5-6-11-19(18)24(30-2)27-26-23/h5-6,10-13,16H,3-4,7-9,14-15H2,1-2H3,(H,25,29)
InChIKeyKODQHCBJULSTOL-UHFFFAOYSA-N
XLogP5.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Methoxy-1-phthalazinyl)-2-(1-piperidinyl)aniline
CID 2953423
N-[5-(4-methoxyphthalazin-1-yl)-2-(morpholin-4-yl)phenyl]acetamide
CID 662471
N-[5-(4-methoxy-1-phthalazinyl)-2-(4-morpholinyl)phenyl]cyclohexanecarboxamide
CID 2945285
N-[5-(4-Methoxy-phthalazin-1-yl)-2-morpholin-4-yl-phenyl]-benzamide
CID 3154339
4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]benzamide
CID 6407021
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]cyclohexanecarboxamide
CID 6407393
N-[5-(4-methoxy-1-phthalazinyl)-2-(4-morpholinyl)phenyl]-4-methylbenzamide
CID 2945880
N-[5-(4-methoxyphthalazin-1-yl)-2-(morpholin-4-yl)phenyl]propanamide
CID 662299
2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]benzamide
CID 2953044
N-[5-(4-Methoxy-phthalazin-1-yl)-2-piperidin-1-yl-phenyl]-acetamide
CID 3155247
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]benzamide
CID 6407400
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]-4-methylbenzamide
CID 6407054

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide?
The IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide (CID 2953328) is N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide.
What is the SMILES notation for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide?
The canonical SMILES for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide is CCCC(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCCCC1.
What is the InChIKey of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide?
The InChIKey is KODQHCBJULSTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-9-22(29)25-20-16-17(12-13-21(20)28-14-7-4-8-15-28)23-18-10-5-6-11-19(18)24(30-2)27-26-23/h5-6,10-13,16H,3-4,7-9,14-15H2,1-2H3,(H,25,29).
What are the key properties of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide?
N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide has a molecular weight of 404.51 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide is sourced from PubChem (CID 2953328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).