N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide

C35H41N3OS — CID 44534872

IUPACN-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCC(C)CNCc1cccc(-c2ccc(CN(C(=O)c3cccs3)C3CCN(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C35H41N3OS/c1-27(2)23-36-24-30-10-6-11-32(22-30)31-15-13-29(14-16-31)26-38(35(39)34-12-7-21-40-34)33-17-19-37(20-18-33)25-28-8-4-3-5-9-28/h3-16,21-22,27,33,36H,17-20,23-26H2,1-2H3
InChIKeyJVRJSWVWXBNNNR-UHFFFAOYSA-N
MW551.80 g/mol
LogP7.47
Rot. Bonds11

About N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide

N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 44534872) has the molecular formula C35H41N3OS and a molecular weight of 551.80 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID44534872
Molecular FormulaC35H41N3OS
Molecular Weight551.80 g/mol
Exact Mass551.30
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCC(C)CNCc1cccc(-c2ccc(CN(C(=O)c3cccs3)C3CCN(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C35H41N3OS/c1-27(2)23-36-24-30-10-6-11-32(22-30)31-15-13-29(14-16-31)26-38(35(39)34-12-7-21-40-34)33-17-19-37(20-18-33)25-28-8-4-3-5-9-28/h3-16,21-22,27,33,36H,17-20,23-26H2,1-2H3
InChIKeyJVRJSWVWXBNNNR-UHFFFAOYSA-N
XLogP7.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.80
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide 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

1-(1-benzylpiperidin-4-yl)-1-[[3-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]-3-phenylurea
CID 44534898
1-(1-benzylpiperidin-4-yl)-1-[[3-[4-[(2-methoxyethylamino)methyl]phenyl]phenyl]methyl]-3-(2-phenylethyl)urea
CID 44534962
N-(1-benzylpiperidin-4-yl)-N-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]thiophene-2-carboxamide
CID 42709176
N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide
CID 10230477
N-(1-benzylpiperidin-4-yl)-N-[[3-[3-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 44534796
1-benzyl-1-(1-benzylpyrrolidin-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 68753049
3-benzyl-1-[(4-methylphenyl)methyl]-1-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 10293998
N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 42858227
N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide
CID 42472395
N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]thiophene-2-carboxamide
CID 68949355
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55484698
N-(1-benzylazepan-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide
CID 10187349

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide (CID 44534872) is N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide is CC(C)CNCc1cccc(-c2ccc(CN(C(=O)c3cccs3)C3CCN(Cc4ccccc4)CC3)cc2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is JVRJSWVWXBNNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N3OS/c1-27(2)23-36-24-30-10-6-11-32(22-30)31-15-13-29(14-16-31)26-38(35(39)34-12-7-21-40-34)33-17-19-37(20-18-33)25-28-8-4-3-5-9-28/h3-16,21-22,27,33,36H,17-20,23-26H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 551.80 g/mol, XLogP of 7.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-[[4-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 44534872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).