N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide

C25H27N3O2 — CID 2946926

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide
SMILESCN1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1
InChIInChI=1S/C25H27N3O2/c1-27-14-16-28(17-15-27)23-12-10-22(11-13-23)26-25(29)21-8-5-9-24(18-21)30-19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3,(H,26,29)
InChIKeyMVANGJDUHJVWID-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.27
Rot. Bonds6

About N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide (PubChem CID 2946926) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide
PubChem CID2946926
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide
SMILESCN1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1
InChIInChI=1S/C25H27N3O2/c1-27-14-16-28(17-15-27)23-12-10-22(11-13-23)26-25(29)21-8-5-9-24(18-21)30-19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3,(H,26,29)
InChIKeyMVANGJDUHJVWID-UHFFFAOYSA-N
XLogP4.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide (CID 2946926) is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide is CN1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide?
The InChIKey is MVANGJDUHJVWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-27-14-16-28(17-15-27)23-12-10-22(11-13-23)26-25(29)21-8-5-9-24(18-21)30-19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3,(H,26,29).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide has a molecular weight of 401.51 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 2946926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).