2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

C21H33N3O2 — CID 91793315

IUPAC2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(CN(C)CC(=O)N2CCCC(CN3CCOCC3)C2)cc1
InChIInChI=1S/C21H33N3O2/c1-18-5-7-19(8-6-18)14-22(2)17-21(25)24-9-3-4-20(16-24)15-23-10-12-26-13-11-23/h5-8,20H,3-4,9-17H2,1-2H3
InChIKeyAUSDETJZKXWRSY-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.00
Rot. Bonds6

About 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 91793315) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
PubChem CID91793315
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(CN(C)CC(=O)N2CCCC(CN3CCOCC3)C2)cc1
InChIInChI=1S/C21H33N3O2/c1-18-5-7-19(8-6-18)14-22(2)17-21(25)24-9-3-4-20(16-24)15-23-10-12-26-13-11-23/h5-8,20H,3-4,9-17H2,1-2H3
InChIKeyAUSDETJZKXWRSY-UHFFFAOYSA-N
XLogP2.00
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 126802070
1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 91840309
2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 131914309
4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 126446645
2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 166226482
4-[[methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]methyl]benzonitrile
CID 94104022
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63765937
N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 20907522
2-methyl-1-[2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91780645
(3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 124616862
2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 120670473
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (CID 91793315) is 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is Cc1ccc(CN(C)CC(=O)N2CCCC(CN3CCOCC3)C2)cc1.
What is the InChIKey of 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is AUSDETJZKXWRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-18-5-7-19(8-6-18)14-22(2)17-21(25)24-9-3-4-20(16-24)15-23-10-12-26-13-11-23/h5-8,20H,3-4,9-17H2,1-2H3.
What are the key properties of 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 359.51 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91793315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).