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

C27H25ClN4O2 — CID 6407021

IUPAC4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccc(Cl)cc3)c2)c2ccccc12
InChIInChI=1S/C27H25ClN4O2/c1-34-27-22-8-4-3-7-21(22)25(30-31-27)19-11-14-24(32-15-5-2-6-16-32)23(17-19)29-26(33)18-9-12-20(28)13-10-18/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,29,33)
InChIKeyFQSNCELCJWIIDC-UHFFFAOYSA-N
MW472.98 g/mol
LogP6.20
Rot. Bonds5

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

4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide (PubChem CID 6407021) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is 4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide
PubChem CID6407021
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC Name4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccc(Cl)cc3)c2)c2ccccc12
InChIInChI=1S/C27H25ClN4O2/c1-34-27-22-8-4-3-7-21(22)25(30-31-27)19-11-14-24(32-15-5-2-6-16-32)23(17-19)29-26(33)18-9-12-20(28)13-10-18/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,29,33)
InChIKeyFQSNCELCJWIIDC-UHFFFAOYSA-N
XLogP6.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.98
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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]butanamide
CID 2953328
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]-4-methylbenzamide
CID 6407054
N-[5-(4-methoxy-1-phthalazinyl)-2-(4-morpholinyl)phenyl]butanamide
CID 2946611

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide?
The IUPAC name of 4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide (CID 6407021) is 4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide is COc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccc(Cl)cc3)c2)c2ccccc12.
What is the InChIKey of 4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide?
The InChIKey is FQSNCELCJWIIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c1-34-27-22-8-4-3-7-21(22)25(30-31-27)19-11-14-24(32-15-5-2-6-16-32)23(17-19)29-26(33)18-9-12-20(28)13-10-18/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,29,33).
What are the key properties of 4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide?
4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide has a molecular weight of 472.98 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide is sourced from PubChem (CID 6407021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).