1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one

C16H24N2O2 — CID 115304623

IUPAC1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESCNC1(C)CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(17-2)9-11-18(12-10-16)15(19)8-13-20-14-6-4-3-5-7-14/h3-7,17H,8-13H2,1-2H3
InChIKeyLEJXNNIEYGOAQU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.06
Rot. Bonds5

About 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one

1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 115304623) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one
PubChem CID115304623
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESCNC1(C)CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(17-2)9-11-18(12-10-16)15(19)8-13-20-14-6-4-3-5-7-14/h3-7,17H,8-13H2,1-2H3
InChIKeyLEJXNNIEYGOAQU-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate
CID 113282998
1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
CID 112534348
1-(4,4-dimethoxypiperidin-1-yl)-4-phenoxybutan-1-one
CID 84579262
3-ethyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63146290
1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one
CID 72856203
4-(3-phenoxypropanoyl)piperazine-1-sulfonamide
CID 61129937
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 56910649
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(4-methylphenoxy)propan-1-one
CID 80707475
3-phenoxy-1-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 108534866

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one (CID 115304623) is 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one is CNC1(C)CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is LEJXNNIEYGOAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(17-2)9-11-18(12-10-16)15(19)8-13-20-14-6-4-3-5-7-14/h3-7,17H,8-13H2,1-2H3.
What are the key properties of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one?
1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 115304623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).