N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide

C27H27N5O2 — CID 127036821

IUPACN-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)c1
InChIInChI=1S/C27H27N5O2/c1-34-22-11-7-10-21(18-22)28-25(33)19-31-14-16-32(17-15-31)27-24-13-6-5-12-23(24)26(29-30-27)20-8-3-2-4-9-20/h2-13,18H,14-17,19H2,1H3,(H,28,33)
InChIKeyKERRFPQXLDVOFN-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.07
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide

N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide (PubChem CID 127036821) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide
PubChem CID127036821
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC NameN-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)c1
InChIInChI=1S/C27H27N5O2/c1-34-22-11-7-10-21(18-22)28-25(33)19-31-14-16-32(17-15-31)27-24-13-6-5-12-23(24)26(29-30-27)20-8-3-2-4-9-20/h2-13,18H,14-17,19H2,1H3,(H,28,33)
InChIKeyKERRFPQXLDVOFN-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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Related Compounds

N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487815
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CID 5014292
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(3-methoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167873
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713
1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine
CID 101106350
N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698418
N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257418
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698408
2-[4-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 172882295

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide (CID 127036821) is N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide is COc1cccc(NC(=O)CN2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide?
The InChIKey is KERRFPQXLDVOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-34-22-11-7-10-21(18-22)28-25(33)19-31-14-16-32(17-15-31)27-24-13-6-5-12-23(24)26(29-30-27)20-8-3-2-4-9-20/h2-13,18H,14-17,19H2,1H3,(H,28,33).
What are the key properties of N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide?
N-(3-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-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 127036821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).