4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one

C20H30N2O3 — CID 95598638

IUPAC4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one
SMILESCC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](N(C)C)C2)cc1
InChIInChI=1S/C20H30N2O3/c1-15(23)7-8-17-9-11-19(12-10-17)25-16(2)20(24)22-13-5-6-18(14-22)21(3)4/h9-12,16,18H,5-8,13-14H2,1-4H3/t16-,18-/m1/s1
InChIKeyGDPMCAZAAGNJIA-SJLPKXTDSA-N
MW346.47 g/mol
LogP2.53
Rot. Bonds7

About 4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one

4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one (PubChem CID 95598638) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one
PubChem CID95598638
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one
SMILESCC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](N(C)C)C2)cc1
InChIInChI=1S/C20H30N2O3/c1-15(23)7-8-17-9-11-19(12-10-17)25-16(2)20(24)22-13-5-6-18(14-22)21(3)4/h9-12,16,18H,5-8,13-14H2,1-4H3/t16-,18-/m1/s1
InChIKeyGDPMCAZAAGNJIA-SJLPKXTDSA-N
XLogP2.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one with MolForge

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Related Compounds

4-[4-[1-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one
CID 86958417
4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one
CID 78767059
2-[4-(3-hydroxybutyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43504093
N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 43085576
N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 78767064
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 51518733
(2R)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 28825316
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
2-(4-ethylphenoxy)-1-[4-[2-(4-ethylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981285
2-(4-bromophenoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119493382
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one?
The IUPAC name of 4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one (CID 95598638) is 4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one.
What is the SMILES notation for 4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one?
The canonical SMILES for 4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one is CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](N(C)C)C2)cc1.
What is the InChIKey of 4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one?
The InChIKey is GDPMCAZAAGNJIA-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(23)7-8-17-9-11-19(12-10-17)25-16(2)20(24)22-13-5-6-18(14-22)21(3)4/h9-12,16,18H,5-8,13-14H2,1-4H3/t16-,18-/m1/s1.
What are the key properties of 4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one?
4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one has a molecular weight of 346.47 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one is sourced from PubChem (CID 95598638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).