N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide

C20H21N5O — CID 123439855

IUPACN-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
SMILESCNC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C20H21N5O/c1-21-20(26)25-13-11-24(12-14-25)19-17-10-6-5-9-16(17)18(22-23-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,26)
InChIKeyIGOUNJFABVPSDN-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.76
Rot. Bonds2

About N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide

N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide (PubChem CID 123439855) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
PubChem CID123439855
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
SMILESCNC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C20H21N5O/c1-21-20(26)25-13-11-24(12-14-25)19-17-10-6-5-9-16(17)18(22-23-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,26)
InChIKeyIGOUNJFABVPSDN-UHFFFAOYSA-N
XLogP2.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 2951839
(2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
CID 6407348
1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride
CID 45261463
1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-2-piperidin-1-ylethanone
CID 2952093
2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39950031
2-[2-oxo-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 664563
3-[4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]phthalazin-1-yl]benzoic acid;hydrochloride
CID 139368881
N-(4-chlorophenyl)-2-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 67343692
3-amino-4-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-4-oxobutanoic acid
CID 134470834
(2S)-N-(4-fluorophenyl)-2-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide;hydrochloride
CID 67344704
N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide
CID 127036821
tert-butyl N-[2-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 142744156

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide?
The IUPAC name of N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide (CID 123439855) is N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide?
The canonical SMILES for N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide is CNC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide?
The InChIKey is IGOUNJFABVPSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-21-20(26)25-13-11-24(12-14-25)19-17-10-6-5-9-16(17)18(22-23-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,26).
What are the key properties of N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide?
N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide is sourced from PubChem (CID 123439855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).