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

C23H23NO4 — CID 7641888

IUPAC7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
SMILESC[C@H]1CCCCN1C(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C23H23NO4/c1-16-7-5-6-12-24(16)22(25)15-27-18-10-11-19-21(13-18)28-14-20(23(19)26)17-8-3-2-4-9-17/h2-4,8-11,13-14,16H,5-7,12,15H2,1H3/t16-/m0/s1
InChIKeyBYUYCIQNVXODDH-INIZCTEOSA-N
MW377.44 g/mol
LogP4.24
Rot. Bonds4

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

7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one (PubChem CID 7641888) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
PubChem CID7641888
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
SMILESC[C@H]1CCCCN1C(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C23H23NO4/c1-16-7-5-6-12-24(16)22(25)15-27-18-10-11-19-21(13-18)28-14-20(23(19)26)17-8-3-2-4-9-17/h2-4,8-11,13-14,16H,5-7,12,15H2,1H3/t16-/m0/s1
InChIKeyBYUYCIQNVXODDH-INIZCTEOSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641848
3-(3,4-dimethoxyphenyl)-7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]chromen-4-one
CID 41130247
7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 40919216
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 41091483
N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one
CID 12918919
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 166201379
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 40899939
7-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-3-(4-tert-butylphenyl)chromen-4-one
CID 121309110
2-[4-[7-(cyclohexylmethoxy)-4-oxochromen-3-yl]phenoxy]acetic acid
CID 142669564

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
The IUPAC name of 7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one (CID 7641888) is 7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one.
What is the SMILES notation for 7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
The canonical SMILES for 7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one is C[C@H]1CCCCN1C(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1.
What is the InChIKey of 7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
The InChIKey is BYUYCIQNVXODDH-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23NO4/c1-16-7-5-6-12-24(16)22(25)15-27-18-10-11-19-21(13-18)28-14-20(23(19)26)17-8-3-2-4-9-17/h2-4,8-11,13-14,16H,5-7,12,15H2,1H3/t16-/m0/s1.
What are the key properties of 7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one has a molecular weight of 377.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one is sourced from PubChem (CID 7641888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).