N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

C25H27N3O2 — CID 653541

IUPACN-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1
InChIInChI=1S/C25H27N3O2/c1-30-24-9-5-6-22(18-24)26-25(29)21-12-10-20(11-13-21)19-27-14-16-28(17-15-27)23-7-3-2-4-8-23/h2-13,18H,14-17,19H2,1H3,(H,26,29)
InChIKeyKIYQNRREFVVRSD-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.27
Rot. Bonds6

About N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide (PubChem CID 653541) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
PubChem CID653541
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1
InChIInChI=1S/C25H27N3O2/c1-30-24-9-5-6-22(18-24)26-25(29)21-12-10-20(11-13-21)19-27-14-16-28(17-15-27)23-7-3-2-4-8-23/h2-13,18H,14-17,19H2,1H3,(H,26,29)
InChIKeyKIYQNRREFVVRSD-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide (CID 653541) is N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is COc1cccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
The InChIKey is KIYQNRREFVVRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-30-24-9-5-6-22(18-24)26-25(29)21-12-10-20(11-13-21)19-27-14-16-28(17-15-27)23-7-3-2-4-8-23/h2-13,18H,14-17,19H2,1H3,(H,26,29).
What are the key properties of N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide?
N-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide 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-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 653541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).