7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one

C23H23NO4 — CID 40919216

IUPAC7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
SMILESC[C@H]1CCCN(C(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)C1
InChIInChI=1S/C23H23NO4/c1-16-6-5-11-24(13-16)22(25)15-27-18-9-10-19-21(12-18)28-14-20(23(19)26)17-7-3-2-4-8-17/h2-4,7-10,12,14,16H,5-6,11,13,15H2,1H3/t16-/m0/s1
InChIKeyQYWRXIMLPPPJND-INIZCTEOSA-N
MW377.44 g/mol
LogP4.10
Rot. Bonds4

About 7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one

7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one (PubChem CID 40919216) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
PubChem CID40919216
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
SMILESC[C@H]1CCCN(C(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)C1
InChIInChI=1S/C23H23NO4/c1-16-6-5-11-24(13-16)22(25)15-27-18-9-10-19-21(12-18)28-14-20(23(19)26)17-7-3-2-4-8-17/h2-4,7-10,12,14,16H,5-6,11,13,15H2,1H3/t16-/m0/s1
InChIKeyQYWRXIMLPPPJND-INIZCTEOSA-N
XLogP4.10
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 41091483
7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641848
7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641888
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 162915727
N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 40899939
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
7-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-3-(4-tert-butylphenyl)chromen-4-one
CID 121309110
7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one
CID 12918919
7-[4-(4-acetylpiperazin-1-yl)butoxy]-3-phenylchromen-4-one
CID 10971851

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
The IUPAC name of 7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one (CID 40919216) is 7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one.
What is the SMILES notation for 7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
The canonical SMILES for 7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one is C[C@H]1CCCN(C(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)C1.
What is the InChIKey of 7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
The InChIKey is QYWRXIMLPPPJND-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23NO4/c1-16-6-5-11-24(13-16)22(25)15-27-18-9-10-19-21(12-18)28-14-20(23(19)26)17-7-3-2-4-8-17/h2-4,7-10,12,14,16H,5-6,11,13,15H2,1H3/t16-/m0/s1.
What are the key properties of 7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one has a molecular weight of 377.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one is sourced from PubChem (CID 40919216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).