2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide

C20H31N3O2 — CID 70845924

IUPAC2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(CN2CCOCC2)cc1C(=O)NCC1CCN(C)CC1
InChIInChI=1S/C20H31N3O2/c1-16-3-4-18(15-23-9-11-25-12-10-23)13-19(16)20(24)21-14-17-5-7-22(2)8-6-17/h3-4,13,17H,5-12,14-15H2,1-2H3,(H,21,24)
InChIKeyXAYLEYXAANMLOE-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.90
Rot. Bonds5

About 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide

2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide (PubChem CID 70845924) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide
PubChem CID70845924
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(CN2CCOCC2)cc1C(=O)NCC1CCN(C)CC1
InChIInChI=1S/C20H31N3O2/c1-16-3-4-18(15-23-9-11-25-12-10-23)13-19(16)20(24)21-14-17-5-7-22(2)8-6-17/h3-4,13,17H,5-12,14-15H2,1-2H3,(H,21,24)
InChIKeyXAYLEYXAANMLOE-UHFFFAOYSA-N
XLogP1.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide
CID 70845928
2-methyl-N-(1-methylpiperidin-4-yl)-5-(morpholin-4-ylmethyl)benzamide
CID 70846032
2-methyl-5-(morpholin-4-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 70846212
1-[2-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(oxan-4-yl)ethanone
CID 157306935
2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide
CID 70845853
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide
CID 70845852
5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 120645363
N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 67106005
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55971149
5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 47080623
5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 120647867

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide (CID 70845924) is 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide is Cc1ccc(CN2CCOCC2)cc1C(=O)NCC1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide?
The InChIKey is XAYLEYXAANMLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-3-4-18(15-23-9-11-25-12-10-23)13-19(16)20(24)21-14-17-5-7-22(2)8-6-17/h3-4,13,17H,5-12,14-15H2,1-2H3,(H,21,24).
What are the key properties of 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide?
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide has a molecular weight of 345.49 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 70845924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).