N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide

C22H27N3O3 — CID 126838073

IUPACN-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CNC3CCC(=O)NC3(C)C)c2)cc1
InChIInChI=1S/C22H27N3O3/c1-22(2)19(11-12-20(26)25-22)23-14-15-5-4-6-17(13-15)24-21(27)16-7-9-18(28-3)10-8-16/h4-10,13,19,23H,11-12,14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyFUVKVGNOCBAJDX-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.09
Rot. Bonds6

About N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide

N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide (PubChem CID 126838073) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide
PubChem CID126838073
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CNC3CCC(=O)NC3(C)C)c2)cc1
InChIInChI=1S/C22H27N3O3/c1-22(2)19(11-12-20(26)25-22)23-14-15-5-4-6-17(13-15)24-21(27)16-7-9-18(28-3)10-8-16/h4-10,13,19,23H,11-12,14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyFUVKVGNOCBAJDX-UHFFFAOYSA-N
XLogP3.09
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide 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-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide
CID 111112630
N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide
CID 111448623
N-[3-[[(3R)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]methyl]phenyl]-4-methoxybenzamide
CID 171037338
N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide
CID 111449202
N-[3-(cyclobutanecarbonylamino)phenyl]-4-methoxybenzamide
CID 56948594
(2S)-1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038742
4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide
CID 124726803
2-[[[3-[(4-methoxybenzoyl)amino]phenyl]methylamino]methyl]-4-methylpentanoic acid
CID 122072946
2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 55932192
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30940006
[4-[[3-[[(3,5-dimethoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931918

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide (CID 126838073) is N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(CNC3CCC(=O)NC3(C)C)c2)cc1.
What is the InChIKey of N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide?
The InChIKey is FUVKVGNOCBAJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(2)19(11-12-20(26)25-22)23-14-15-5-4-6-17(13-15)24-21(27)16-7-9-18(28-3)10-8-16/h4-10,13,19,23H,11-12,14H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide?
N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide has a molecular weight of 381.48 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 126838073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).