N-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide

C21H23N5O2 — CID 123727358

IUPACN-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)N3CCNCC3C)c3ccccc23)cc1
InChIInChI=1S/C21H23N5O2/c1-14-13-22-11-12-26(14)21(27)23-20-18-6-4-3-5-17(18)19(24-25-20)15-7-9-16(28-2)10-8-15/h3-10,14,22H,11-13H2,1-2H3,(H,23,25,27)
InChIKeyIMFNEFUCTNNXOA-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.13
Rot. Bonds3

About N-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide

N-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide (PubChem CID 123727358) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide
PubChem CID123727358
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)N3CCNCC3C)c3ccccc23)cc1
InChIInChI=1S/C21H23N5O2/c1-14-13-22-11-12-26(14)21(27)23-20-18-6-4-3-5-17(18)19(24-25-20)15-7-9-16(28-2)10-8-15/h3-10,14,22H,11-13H2,1-2H3,(H,23,25,27)
InChIKeyIMFNEFUCTNNXOA-UHFFFAOYSA-N
XLogP3.13
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 82756445
N-(4-cyanophenyl)-4-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide
CID 77443545
2-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenol
CID 135426072
N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 55104624
2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119472935
4-[4-[(2S)-2-methylpiperazin-1-yl]phthalazin-1-yl]benzonitrile
CID 58378973
2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119470085
3-(4-methoxyphenyl)-1-(2-methylpiperazin-1-yl)but-2-en-1-one
CID 126766989
N-[4-(4-methoxyphenyl)phenyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878565
(2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide
CID 82755656
2-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 141003239
(2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide
CID 131918490

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide (CID 123727358) is N-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide is COc1ccc(-c2nnc(NC(=O)N3CCNCC3C)c3ccccc23)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide?
The InChIKey is IMFNEFUCTNNXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-13-22-11-12-26(14)21(27)23-20-18-6-4-3-5-17(18)19(24-25-20)15-7-9-16(28-2)10-8-15/h3-10,14,22H,11-13H2,1-2H3,(H,23,25,27).
What are the key properties of N-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide?
N-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)phthalazin-1-yl]-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 123727358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).