N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide

C25H23N5O2 — CID 11464443

IUPACN-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C25H23N5O2/c31-25(27-20-10-12-22(13-11-20)32-21-7-2-1-3-8-21)30-16-14-29(15-17-30)24-23-9-5-4-6-19(23)18-26-28-24/h1-13,18H,14-17H2,(H,27,31)
InChIKeyHXITVBQTQJLPOJ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.78
Rot. Bonds4

About N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide

N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide (PubChem CID 11464443) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide
PubChem CID11464443
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C25H23N5O2/c31-25(27-20-10-12-22(13-11-20)32-21-7-2-1-3-8-21)30-16-14-29(15-17-30)24-23-9-5-4-6-19(23)18-26-28-24/h1-13,18H,14-17H2,(H,27,31)
InChIKeyHXITVBQTQJLPOJ-UHFFFAOYSA-N
XLogP4.78
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 113111310
N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide
CID 110747636
N-(4-phenoxyphenyl)-4-(7-propan-2-yloxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707669
4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 10166902
N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 2951839
4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 3338318
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 10973305
4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 11353568
4-(6-methoxy-7-propoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 11752632
4-phthalazin-1-yloxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90560454
4-cyclopentyl-4-hydroxy-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 23071843
4-(6-methoxy-7-prop-2-enoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 10118413

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide (CID 11464443) is N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2nncc3ccccc23)CC1.
What is the InChIKey of N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide?
The InChIKey is HXITVBQTQJLPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-25(27-20-10-12-22(13-11-20)32-21-7-2-1-3-8-21)30-16-14-29(15-17-30)24-23-9-5-4-6-19(23)18-26-28-24/h1-13,18H,14-17H2,(H,27,31).
What are the key properties of N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide?
N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide is sourced from PubChem (CID 11464443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).