7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one

C21H26N2O5 — CID 171389529

IUPAC7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one
SMILESO=C(COc1ccc2ccc(=O)oc2c1)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C21H26N2O5/c24-20(15-27-18-6-4-16-5-7-21(25)28-19(16)13-18)23-8-2-1-3-17(23)14-22-9-11-26-12-10-22/h4-7,13,17H,1-3,8-12,14-15H2
InChIKeySGLHRKKTPIPGRX-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.89
Rot. Bonds5

About 7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one

7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one (PubChem CID 171389529) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one
PubChem CID171389529
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one
SMILESO=C(COc1ccc2ccc(=O)oc2c1)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C21H26N2O5/c24-20(15-27-18-6-4-16-5-7-21(25)28-19(16)13-18)23-8-2-1-3-17(23)14-22-9-11-26-12-10-22/h4-7,13,17H,1-3,8-12,14-15H2
InChIKeySGLHRKKTPIPGRX-UHFFFAOYSA-N
XLogP1.89
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]chromen-2-one
CID 8882275
7-[2-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 55415896
7-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 40772831
2-(4-chloro-3-methylphenoxy)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
CID 26819196
(1S,5R)-4-[2-(2-oxochromen-7-yl)oxyacetyl]-12-oxa-4,8-diazatricyclo[6.4.0.01,5]dodecan-7-one
CID 171915197
7-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethoxy]chromen-2-one;hydrochloride
CID 119412010
N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 51287180
7-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethoxy]chromen-2-one
CID 78769592
7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one
CID 171907125
methyl 2-[4-[2-(2-oxochromen-7-yl)oxyacetyl]piperazin-1-yl]acetate
CID 171911145
2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 97143198
N-methyl-N-(2-methylcyclohexyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 134004095

Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one?
The IUPAC name of 7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one (CID 171389529) is 7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one?
The canonical SMILES for 7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one is O=C(COc1ccc2ccc(=O)oc2c1)N1CCCCC1CN1CCOCC1.
What is the InChIKey of 7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one?
The InChIKey is SGLHRKKTPIPGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c24-20(15-27-18-6-4-16-5-7-21(25)28-19(16)13-18)23-8-2-1-3-17(23)14-22-9-11-26-12-10-22/h4-7,13,17H,1-3,8-12,14-15H2.
What are the key properties of 7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one?
7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one has a molecular weight of 386.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one is sourced from PubChem (CID 171389529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).