2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one

C19H28N2O4 — CID 167869171

IUPAC2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one
SMILESCC(=O)c1cccc(OC(C)C(=O)N2CCCC(O)(CN(C)C)C2)c1
InChIInChI=1S/C19H28N2O4/c1-14(22)16-7-5-8-17(11-16)25-15(2)18(23)21-10-6-9-19(24,13-21)12-20(3)4/h5,7-8,11,15,24H,6,9-10,12-13H2,1-4H3
InChIKeySSDKMCPKQMTTCQ-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.57
Rot. Bonds6

About 2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one

2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one (PubChem CID 167869171) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one
PubChem CID167869171
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one
SMILESCC(=O)c1cccc(OC(C)C(=O)N2CCCC(O)(CN(C)C)C2)c1
InChIInChI=1S/C19H28N2O4/c1-14(22)16-7-5-8-17(11-16)25-15(2)18(23)21-10-6-9-19(24,13-21)12-20(3)4/h5,7-8,11,15,24H,6,9-10,12-13H2,1-4H3
InChIKeySSDKMCPKQMTTCQ-UHFFFAOYSA-N
XLogP1.57
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120817481
2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622024
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(3-pyrimidin-2-ylphenyl)methanone
CID 125155658
2-(3-acetylphenoxy)-1-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 119661893
methyl 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-5-methoxybenzoate
CID 56890831
(2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one
CID 95040653
2-(3-acetylphenoxy)-1-[2-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119631303
2-(3-acetylphenoxy)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one
CID 122151886
2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one
CID 119466539
(3S)-N-(3-acetamido-4-fluorophenyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide
CID 97436375
(4R)-4-[(dimethylamino)methyl]-4-hydroxy-N-(3-methoxyphenyl)azepane-1-carboxamide
CID 95723564
(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372078

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one?
The IUPAC name of 2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one (CID 167869171) is 2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one is CC(=O)c1cccc(OC(C)C(=O)N2CCCC(O)(CN(C)C)C2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one?
The InChIKey is SSDKMCPKQMTTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14(22)16-7-5-8-17(11-16)25-15(2)18(23)21-10-6-9-19(24,13-21)12-20(3)4/h5,7-8,11,15,24H,6,9-10,12-13H2,1-4H3.
What are the key properties of 2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one?
2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one has a molecular weight of 348.44 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 167869171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).