4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide

C34H41N3O3 — CID 70325763

IUPAC4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide
SMILESC=Cc1ccc(C(=O)N(Cc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)C2CCN(CCC(C)C)CC2)cc1
InChIInChI=1S/C34H41N3O3/c1-5-26-6-12-29(13-7-26)34(39)37(31-19-22-36(23-20-31)21-18-25(2)3)24-27-8-10-28(11-9-27)33(38)35-30-14-16-32(40-4)17-15-30/h5-17,25,31H,1,18-24H2,2-4H3,(H,35,38)
InChIKeyAGBUYCDIGBFKHG-UHFFFAOYSA-N
MW539.72 g/mol
LogP6.74
Rot. Bonds11

About 4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide

4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide (PubChem CID 70325763) has the molecular formula C34H41N3O3 and a molecular weight of 539.72 g/mol. Its IUPAC name is 4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide
PubChem CID70325763
Molecular FormulaC34H41N3O3
Molecular Weight539.72 g/mol
Exact Mass539.31
IUPAC Name4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide
SMILESC=Cc1ccc(C(=O)N(Cc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)C2CCN(CCC(C)C)CC2)cc1
InChIInChI=1S/C34H41N3O3/c1-5-26-6-12-29(13-7-26)34(39)37(31-19-22-36(23-20-31)21-18-25(2)3)24-27-8-10-28(11-9-27)33(38)35-30-14-16-32(40-4)17-15-30/h5-17,25,31H,1,18-24H2,2-4H3,(H,35,38)
InChIKeyAGBUYCDIGBFKHG-UHFFFAOYSA-N
XLogP6.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.72
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide with MolForge

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Related Compounds

methyl 4-[[(5-ethenylpyridine-2-carbonyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]benzoate
CID 70325804
3,4-dihydroxy-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide
CID 70326607
N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 11519680
2-ethoxy-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide
CID 11714122
N-[(4-cyanophenyl)methyl]-5-ethenyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70326029
3-hex-1-ynyl-N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide;prop-1-ene
CID 143006051
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 39966520
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide (CID 70325763) is 4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide is C=Cc1ccc(C(=O)N(Cc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)C2CCN(CCC(C)C)CC2)cc1.
What is the InChIKey of 4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is AGBUYCDIGBFKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3O3/c1-5-26-6-12-29(13-7-26)34(39)37(31-19-22-36(23-20-31)21-18-25(2)3)24-27-8-10-28(11-9-27)33(38)35-30-14-16-32(40-4)17-15-30/h5-17,25,31H,1,18-24H2,2-4H3,(H,35,38).
What are the key properties of 4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide?
4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 539.72 g/mol, XLogP of 6.74, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 70325763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).