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

C27H32N4O2 — CID 6407393

IUPACN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]cyclohexanecarboxamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)C3CCCCC3)c2)c2ccccc12
InChIInChI=1S/C27H32N4O2/c1-33-27-22-13-7-6-12-21(22)25(29-30-27)20-14-15-24(31-16-8-3-9-17-31)23(18-20)28-26(32)19-10-4-2-5-11-19/h6-7,12-15,18-19H,2-5,8-11,16-17H2,1H3,(H,28,32)
InChIKeyUYFBQUWZYFKITO-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.81
Rot. Bonds5

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

N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]cyclohexanecarboxamide (PubChem CID 6407393) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]cyclohexanecarboxamide
PubChem CID6407393
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]cyclohexanecarboxamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)C3CCCCC3)c2)c2ccccc12
InChIInChI=1S/C27H32N4O2/c1-33-27-22-13-7-6-12-21(22)25(29-30-27)20-14-15-24(31-16-8-3-9-17-31)23(18-20)28-26(32)19-10-4-2-5-11-19/h6-7,12-15,18-19H,2-5,8-11,16-17H2,1H3,(H,28,32)
InChIKeyUYFBQUWZYFKITO-UHFFFAOYSA-N
XLogP5.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]cyclohexanecarboxamide (CID 6407393) is N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]cyclohexanecarboxamide is COc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)C3CCCCC3)c2)c2ccccc12.
What is the InChIKey of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]cyclohexanecarboxamide?
The InChIKey is UYFBQUWZYFKITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-33-27-22-13-7-6-12-21(22)25(29-30-27)20-14-15-24(31-16-8-3-9-17-31)23(18-20)28-26(32)19-10-4-2-5-11-19/h6-7,12-15,18-19H,2-5,8-11,16-17H2,1H3,(H,28,32).
What are the key properties of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]cyclohexanecarboxamide?
N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]cyclohexanecarboxamide has a molecular weight of 444.58 g/mol, XLogP of 5.81, 5 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]cyclohexanecarboxamide is sourced from PubChem (CID 6407393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).