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

C27H25ClN4O2 — CID 2953044

IUPAC2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccccc3Cl)c2)c2ccccc12
InChIInChI=1S/C27H25ClN4O2/c1-34-27-20-10-4-3-9-19(20)25(30-31-27)18-13-14-24(32-15-7-2-8-16-32)23(17-18)29-26(33)21-11-5-6-12-22(21)28/h3-6,9-14,17H,2,7-8,15-16H2,1H3,(H,29,33)
InChIKeyHSPVPGLPNVPELQ-UHFFFAOYSA-N
MW472.98 g/mol
LogP6.20
Rot. Bonds5

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

2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide (PubChem CID 2953044) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is 2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide
PubChem CID2953044
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC Name2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccccc3Cl)c2)c2ccccc12
InChIInChI=1S/C27H25ClN4O2/c1-34-27-20-10-4-3-9-19(20)25(30-31-27)18-13-14-24(32-15-7-2-8-16-32)23(17-18)29-26(33)21-11-5-6-12-22(21)28/h3-6,9-14,17H,2,7-8,15-16H2,1H3,(H,29,33)
InChIKeyHSPVPGLPNVPELQ-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
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
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 2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide?
The IUPAC name of 2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide (CID 2953044) is 2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide is COc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccccc3Cl)c2)c2ccccc12.
What is the InChIKey of 2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide?
The InChIKey is HSPVPGLPNVPELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c1-34-27-20-10-4-3-9-19(20)25(30-31-27)18-13-14-24(32-15-7-2-8-16-32)23(17-18)29-26(33)21-11-5-6-12-22(21)28/h3-6,9-14,17H,2,7-8,15-16H2,1H3,(H,29,33).
What are the key properties of 2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide?
2-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 2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide is sourced from PubChem (CID 2953044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).