N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide

C18H25N5O — CID 110747636

IUPACN-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C18H25N5O/c1-18(2,3)13-19-17(24)23-10-8-22(9-11-23)16-15-7-5-4-6-14(15)12-20-21-16/h4-7,12H,8-11,13H2,1-3H3,(H,19,24)
InChIKeyRTFOGPMOQAUZRZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.51
Rot. Bonds2

About N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide

N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide (PubChem CID 110747636) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide
PubChem CID110747636
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C18H25N5O/c1-18(2,3)13-19-17(24)23-10-8-22(9-11-23)16-15-7-5-4-6-14(15)12-20-21-16/h4-7,12H,8-11,13H2,1-3H3,(H,19,24)
InChIKeyRTFOGPMOQAUZRZ-UHFFFAOYSA-N
XLogP2.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide (CID 110747636) is N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide is CC(C)(C)CNC(=O)N1CCN(c2nncc3ccccc23)CC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide?
The InChIKey is RTFOGPMOQAUZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-18(2,3)13-19-17(24)23-10-8-22(9-11-23)16-15-7-5-4-6-14(15)12-20-21-16/h4-7,12H,8-11,13H2,1-3H3,(H,19,24).
What are the key properties of N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide?
N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide is sourced from PubChem (CID 110747636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).