4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide

C28H37N3O3 — CID 67550313

IUPAC4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@](C)(C(=O)N2CCC(C3CCN(C)CC3)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H37N3O3/c1-28(24-7-5-4-6-8-24,29-26(32)23-9-11-25(34-3)12-10-23)27(33)31-19-15-22(16-20-31)21-13-17-30(2)18-14-21/h4-12,21-22H,13-20H2,1-3H3,(H,29,32)/t28-/m0/s1
InChIKeyQSYDDDBIDJCSPI-NDEPHWFRSA-N
MW463.62 g/mol
LogP3.92
Rot. Bonds6

About 4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide

4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide (PubChem CID 67550313) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is 4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide
PubChem CID67550313
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC Name4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@](C)(C(=O)N2CCC(C3CCN(C)CC3)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H37N3O3/c1-28(24-7-5-4-6-8-24,29-26(32)23-9-11-25(34-3)12-10-23)27(33)31-19-15-22(16-20-31)21-13-17-30(2)18-14-21/h4-12,21-22H,13-20H2,1-3H3,(H,29,32)/t28-/m0/s1
InChIKeyQSYDDDBIDJCSPI-NDEPHWFRSA-N
XLogP3.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]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

N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride
CID 69329575
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287010
2-[(4-methoxybenzoyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 78809748
4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218579
4-[[(4-methoxyphenyl)-diphenylmethyl]amino]benzoic acid
CID 13008997
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propylbenzamide
CID 69141376
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
4-methoxy-N-(4-methylpiperazin-1-yl)benzamide
CID 4605350
2-(4-methoxyphenyl)-2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]propan-1-one
CID 75383198
1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 95724781

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide (CID 67550313) is 4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide is COc1ccc(C(=O)N[C@](C)(C(=O)N2CCC(C3CCN(C)CC3)CC2)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide?
The InChIKey is QSYDDDBIDJCSPI-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-28(24-7-5-4-6-8-24,29-26(32)23-9-11-25(34-3)12-10-23)27(33)31-19-15-22(16-20-31)21-13-17-30(2)18-14-21/h4-12,21-22H,13-20H2,1-3H3,(H,29,32)/t28-/m0/s1.
What are the key properties of 4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide?
4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide has a molecular weight of 463.62 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 67550313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).