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

C27H31N3O2 — CID 42858721

IUPAC4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1ccc(N2CCN(Cc3ccc(C(=O)NCc4cccc(C)c4)cc3)CC2)cc1
InChIInChI=1S/C27H31N3O2/c1-21-4-3-5-23(18-21)19-28-27(31)24-8-6-22(7-9-24)20-29-14-16-30(17-15-29)25-10-12-26(32-2)13-11-25/h3-13,18H,14-17,19-20H2,1-2H3,(H,28,31)
InChIKeyBXCQVTRCDOQIFT-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.26
Rot. Bonds7

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

4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 42858721) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
PubChem CID42858721
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1ccc(N2CCN(Cc3ccc(C(=O)NCc4cccc(C)c4)cc3)CC2)cc1
InChIInChI=1S/C27H31N3O2/c1-21-4-3-5-23(18-21)19-28-27(31)24-8-6-22(7-9-24)20-29-14-16-30(17-15-29)25-10-12-26(32-2)13-11-25/h3-13,18H,14-17,19-20H2,1-2H3,(H,28,31)
InChIKeyBXCQVTRCDOQIFT-UHFFFAOYSA-N
XLogP4.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106920
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858799
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108907
N-[2-(dimethylamino)ethyl]-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 42858719
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide
CID 83288344
4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
CID 23108835
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46043518
4-methoxy-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
CID 44573499
N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055599

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide (CID 42858721) is 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide is COc1ccc(N2CCN(Cc3ccc(C(=O)NCc4cccc(C)c4)cc3)CC2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is BXCQVTRCDOQIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-21-4-3-5-23(18-21)19-28-27(31)24-8-6-22(7-9-24)20-29-14-16-30(17-15-29)25-10-12-26(32-2)13-11-25/h3-13,18H,14-17,19-20H2,1-2H3,(H,28,31).
What are the key properties of 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide?
4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 429.56 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 42858721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).