1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone

C23H30N2O2 — CID 119560633

IUPAC1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone
SMILESCNC1CCN(C(=O)C(Oc2cccc(C(C)C)c2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-17(2)19-10-7-11-21(16-19)27-22(18-8-5-4-6-9-18)23(26)25-14-12-20(24-3)13-15-25/h4-11,16-17,20,22,24H,12-15H2,1-3H3
InChIKeyNEFKHYRCVLYPTJ-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.14
Rot. Bonds6

About 1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone

1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone (PubChem CID 119560633) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone
PubChem CID119560633
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone
SMILESCNC1CCN(C(=O)C(Oc2cccc(C(C)C)c2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-17(2)19-10-7-11-21(16-19)27-22(18-8-5-4-6-9-18)23(26)25-14-12-20(24-3)13-15-25/h4-11,16-17,20,22,24H,12-15H2,1-3H3
InChIKeyNEFKHYRCVLYPTJ-UHFFFAOYSA-N
XLogP4.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone with MolForge

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Related Compounds

2-(3-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119560528
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
2-methyl-N-[1-[2-(3-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 55796186
N-(4-aminocyclohexyl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119475379
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119562871
N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 95300634
2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119544183
2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 78767912
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119456064
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride
CID 119563868
N-(2-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 120601037

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone (CID 119560633) is 1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone is CNC1CCN(C(=O)C(Oc2cccc(C(C)C)c2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone?
The InChIKey is NEFKHYRCVLYPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17(2)19-10-7-11-21(16-19)27-22(18-8-5-4-6-9-18)23(26)25-14-12-20(24-3)13-15-25/h4-11,16-17,20,22,24H,12-15H2,1-3H3.
What are the key properties of 1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone?
1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone has a molecular weight of 366.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 119560633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).