7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one

C18H21NO4 — CID 7290736

IUPAC7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one
SMILESCC1CCN(C(=O)[C@@H](C)Oc2ccc3ccc(=O)oc3c2)CC1
InChIInChI=1S/C18H21NO4/c1-12-7-9-19(10-8-12)18(21)13(2)22-15-5-3-14-4-6-17(20)23-16(14)11-15/h3-6,11-13H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyYDFVLRNROOZYKW-CYBMUJFWSA-N
MW315.37 g/mol
LogP2.82
Rot. Bonds3

About 7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one

7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one (PubChem CID 7290736) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one.

Molecular Properties

Compound Name7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one
PubChem CID7290736
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one
SMILESCC1CCN(C(=O)[C@@H](C)Oc2ccc3ccc(=O)oc3c2)CC1
InChIInChI=1S/C18H21NO4/c1-12-7-9-19(10-8-12)18(21)13(2)22-15-5-3-14-4-6-17(20)23-16(14)11-15/h3-6,11-13H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyYDFVLRNROOZYKW-CYBMUJFWSA-N
XLogP2.82
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[1-oxo-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-yl]oxychromen-2-one
CID 171907324
7-[1-oxo-1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-2-yl]oxychromen-2-one
CID 171911417
7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one
CID 171389391
2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3876890
2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 171145256
(2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 39854933
7-[1-oxo-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]oxychromen-2-one
CID 171388634
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 35329051
7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one
CID 171906876
N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 32541213
1-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]piperidine-4-carboxylic acid
CID 146306482

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one?
The IUPAC name of 7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one (CID 7290736) is 7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one.
What is the SMILES notation for 7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one?
The canonical SMILES for 7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one is CC1CCN(C(=O)[C@@H](C)Oc2ccc3ccc(=O)oc3c2)CC1.
What is the InChIKey of 7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one?
The InChIKey is YDFVLRNROOZYKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12-7-9-19(10-8-12)18(21)13(2)22-15-5-3-14-4-6-17(20)23-16(14)11-15/h3-6,11-13H,7-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one?
7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one has a molecular weight of 315.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one is sourced from PubChem (CID 7290736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).