4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide

C29H30N4O — CID 42690720

IUPAC4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)c1nnc(N2CCC(Cc3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C29H30N4O/c34-29(30-18-15-22-9-3-1-4-10-22)27-25-13-7-8-14-26(25)28(32-31-27)33-19-16-24(17-20-33)21-23-11-5-2-6-12-23/h1-14,24H,15-21H2,(H,30,34)
InChIKeyZUDWXMHIASDJOD-UHFFFAOYSA-N
MW450.59 g/mol
LogP5.06
Rot. Bonds7

About 4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide

4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide (PubChem CID 42690720) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide
PubChem CID42690720
Molecular FormulaC29H30N4O
Molecular Weight450.59 g/mol
Exact Mass450.24
IUPAC Name4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)c1nnc(N2CCC(Cc3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C29H30N4O/c34-29(30-18-15-22-9-3-1-4-10-22)27-25-13-7-8-14-26(25)28(32-31-27)33-19-16-24(17-20-33)21-23-11-5-2-6-12-23/h1-14,24H,15-21H2,(H,30,34)
InChIKeyZUDWXMHIASDJOD-UHFFFAOYSA-N
XLogP5.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-benzylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)phthalazine-1-carboxamide
CID 42878260
4-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide
CID 42690736
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 42690916
4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 42690593
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide
CID 3879106
N-(2-phenoxyethyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690654
5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 24717040
2-(4-benzylpiperidin-1-yl)-5-[[(2S)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967321
2-(4-benzylpiperidin-1-yl)-5-[[(2R)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967322
N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide
CID 3879115
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
(2S)-2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyano-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 40838076

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide (CID 42690720) is 4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide is O=C(NCCc1ccccc1)c1nnc(N2CCC(Cc3ccccc3)CC2)c2ccccc12.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide?
The InChIKey is ZUDWXMHIASDJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c34-29(30-18-15-22-9-3-1-4-10-22)27-25-13-7-8-14-26(25)28(32-31-27)33-19-16-24(17-20-33)21-23-11-5-2-6-12-23/h1-14,24H,15-21H2,(H,30,34).
What are the key properties of 4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide?
4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 42690720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).