N-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide

C27H27N5O2 — CID 127036822

IUPACN-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)cc1
InChIInChI=1S/C27H27N5O2/c1-34-22-13-11-21(12-14-22)28-25(33)19-31-15-17-32(18-16-31)27-24-10-6-5-9-23(24)26(29-30-27)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,28,33)
InChIKeyNOJZZVACANSJON-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.07
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide

N-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide (PubChem CID 127036822) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide
PubChem CID127036822
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC NameN-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)cc1
InChIInChI=1S/C27H27N5O2/c1-34-22-13-11-21(12-14-22)28-25(33)19-31-15-17-32(18-16-31)27-24-10-6-5-9-23(24)26(29-30-27)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,28,33)
InChIKeyNOJZZVACANSJON-UHFFFAOYSA-N
XLogP4.07
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide (CID 127036822) is N-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide?
The InChIKey is NOJZZVACANSJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-34-22-13-11-21(12-14-22)28-25(33)19-31-15-17-32(18-16-31)27-24-10-6-5-9-23(24)26(29-30-27)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,28,33).
What are the key properties of N-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide has a molecular weight of 453.55 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 127036822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).