N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

C21H33N3O3 — CID 120889673

IUPACN-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCOCC1(CNC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)CCNCC1
InChIInChI=1S/C21H33N3O3/c1-15(2)18(24-19(25)17-7-5-6-16(3)12-17)20(26)23-13-21(14-27-4)8-10-22-11-9-21/h5-7,12,15,18,22H,8-11,13-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyWKTNDUKEUFPVAI-UHFFFAOYSA-N
MW375.51 g/mol
LogP1.88
Rot. Bonds8

About N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (PubChem CID 120889673) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
PubChem CID120889673
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCOCC1(CNC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)CCNCC1
InChIInChI=1S/C21H33N3O3/c1-15(2)18(24-19(25)17-7-5-6-16(3)12-17)20(26)23-13-21(14-27-4)8-10-22-11-9-21/h5-7,12,15,18,22H,8-11,13-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyWKTNDUKEUFPVAI-UHFFFAOYSA-N
XLogP1.88
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide with MolForge

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Related Compounds

4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 120891910
2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 120889665
(2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide
CID 120890091
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 120889270
N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134023152
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 120888205
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120890622
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888252
3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 120828073
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
N-[1-[(3-amino-2-methylpropyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119997662
N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46419166

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (CID 120889673) is N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is COCC1(CNC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)CCNCC1.
What is the InChIKey of N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The InChIKey is WKTNDUKEUFPVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-15(2)18(24-19(25)17-7-5-6-16(3)12-17)20(26)23-13-21(14-27-4)8-10-22-11-9-21/h5-7,12,15,18,22H,8-11,13-14H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide has a molecular weight of 375.51 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 120889673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).