N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide

C33H34N4O3 — CID 91133841

IUPACN-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide
SMILESCN(C(=O)Nc1cccc(Oc2ccccc2)c1)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C33H34N4O3/c1-36(33(39)35-28-11-8-14-31(23-28)40-30-12-6-3-7-13-30)29-17-15-26(16-18-29)32(38)34-27-19-21-37(22-20-27)24-25-9-4-2-5-10-25/h2-18,23,27H,19-22,24H2,1H3,(H,34,38)(H,35,39)
InChIKeyXDFCIWRGKWWPIR-UHFFFAOYSA-N
MW534.66 g/mol
LogP6.54
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide

N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide (PubChem CID 91133841) has the molecular formula C33H34N4O3 and a molecular weight of 534.66 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide
PubChem CID91133841
Molecular FormulaC33H34N4O3
Molecular Weight534.66 g/mol
Exact Mass534.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide
SMILESCN(C(=O)Nc1cccc(Oc2ccccc2)c1)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C33H34N4O3/c1-36(33(39)35-28-11-8-14-31(23-28)40-30-12-6-3-7-13-30)29-17-15-26(16-18-29)32(38)34-27-19-21-37(22-20-27)24-25-9-4-2-5-10-25/h2-18,23,27H,19-22,24H2,1H3,(H,34,38)(H,35,39)
InChIKeyXDFCIWRGKWWPIR-UHFFFAOYSA-N
XLogP6.54
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 91340602
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide
CID 58730707
N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
CID 29206704
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
CID 27673222
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide (CID 91133841) is N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide is CN(C(=O)Nc1cccc(Oc2ccccc2)c1)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide?
The InChIKey is XDFCIWRGKWWPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O3/c1-36(33(39)35-28-11-8-14-31(23-28)40-30-12-6-3-7-13-30)29-17-15-26(16-18-29)32(38)34-27-19-21-37(22-20-27)24-25-9-4-2-5-10-25/h2-18,23,27H,19-22,24H2,1H3,(H,34,38)(H,35,39).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide?
N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide has a molecular weight of 534.66 g/mol, XLogP of 6.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide is sourced from PubChem (CID 91133841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).