3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one

C21H32N2O2 — CID 110304853

IUPAC3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one
SMILESCC(C)(CC(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C21H32N2O2/c1-21(2,19-6-4-3-5-7-19)16-20(24)23-10-8-18(9-11-23)17-22-12-14-25-15-13-22/h3-7,18H,8-17H2,1-2H3
InChIKeyXWELTYYWUPOYJH-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.93
Rot. Bonds5

About 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one

3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one (PubChem CID 110304853) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one
PubChem CID110304853
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one
SMILESCC(C)(CC(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C21H32N2O2/c1-21(2,19-6-4-3-5-7-19)16-20(24)23-10-8-18(9-11-23)17-22-12-14-25-15-13-22/h3-7,18H,8-17H2,1-2H3
InChIKeyXWELTYYWUPOYJH-UHFFFAOYSA-N
XLogP2.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110353819
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328262
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 136579803
(E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one
CID 110304869
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 55845373
(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70786755
2-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110284700
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110284682
3-methyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 110346834
N-methyl-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-phenylacetamide
CID 60503563
1-(4-methylphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butane-1,4-dione
CID 110304847

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one?
The IUPAC name of 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one (CID 110304853) is 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one?
The canonical SMILES for 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one is CC(C)(CC(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1.
What is the InChIKey of 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one?
The InChIKey is XWELTYYWUPOYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-21(2,19-6-4-3-5-7-19)16-20(24)23-10-8-18(9-11-23)17-22-12-14-25-15-13-22/h3-7,18H,8-17H2,1-2H3.
What are the key properties of 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one?
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one has a molecular weight of 344.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 110304853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).