(2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone

C26H29N3O3 — CID 39457794

IUPAC(2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)cc1OC
InChIInChI=1S/C26H29N3O3/c1-31-24-13-12-20(18-25(24)32-2)19-28-14-16-29(17-15-28)26(30)22-10-6-7-11-23(22)27-21-8-4-3-5-9-21/h3-13,18,27H,14-17,19H2,1-2H3
InChIKeyKDYLRARPWSFTNB-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.41
Rot. Bonds7

About (2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone

(2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 39457794) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is (2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID39457794
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name(2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)cc1OC
InChIInChI=1S/C26H29N3O3/c1-31-24-13-12-20(18-25(24)32-2)19-28-14-16-29(17-15-28)26(30)22-10-6-7-11-23(22)27-21-8-4-3-5-9-21/h3-13,18,27H,14-17,19H2,1-2H3
InChIKeyKDYLRARPWSFTNB-UHFFFAOYSA-N
XLogP4.41
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(2,6-dimethoxyphenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366613
2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 4212754
(2-chlorophenyl)-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 110399284
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 31331971
4-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55789518
2-anilino-4-[(4-benzoylpiperazin-1-yl)methyl]benzamide
CID 91305127
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 31332821
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 30622733
(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone
CID 17174738
(4-bromo-3,5-dimethoxyphenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31332615
(1-benzylpyrazol-4-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9474985

Frequently Asked Questions

What is the IUPAC name of (2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 39457794) is (2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone is COc1ccc(CN2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)cc1OC.
What is the InChIKey of (2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is KDYLRARPWSFTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-31-24-13-12-20(18-25(24)32-2)19-28-14-16-29(17-15-28)26(30)22-10-6-7-11-23(22)27-21-8-4-3-5-9-21/h3-13,18,27H,14-17,19H2,1-2H3.
What are the key properties of (2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone?
(2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 431.54 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 39457794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).