[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate

C23H25NO4 — CID 3964401

IUPAC[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate
SMILESCC1CC(C)CN(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C23H25NO4/c1-15-11-16(2)13-24(12-15)21(25)14-27-23(26)22-17-7-3-5-9-19(17)28-20-10-6-4-8-18(20)22/h3-10,15-16,22H,11-14H2,1-2H3
InChIKeyWDIOFAKYSRWICR-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.97
Rot. Bonds3

About [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate (PubChem CID 3964401) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate
PubChem CID3964401
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate
SMILESCC1CC(C)CN(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C23H25NO4/c1-15-11-16(2)13-24(12-15)21(25)14-27-23(26)22-17-7-3-5-9-19(17)28-20-10-6-4-8-18(20)22/h3-10,15-16,22H,11-14H2,1-2H3
InChIKeyWDIOFAKYSRWICR-UHFFFAOYSA-N
XLogP3.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxo-2-pyrrolidin-1-ylethyl) 9H-xanthene-9-carboxylate
CID 2573743
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 4677171
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2636813
1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone
CID 112788689
[2-oxo-2-(pentan-3-ylamino)ethyl] 9H-xanthene-9-carboxylate
CID 5023194
[2-oxo-2-(prop-2-ynylamino)ethyl] 9H-xanthene-9-carboxylate
CID 9201550
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515943
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515940
[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzoylbenzoate
CID 7470676
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2386855
[3-(hydroxymethyl)azetidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 121105783

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate?
The IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate (CID 3964401) is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate.
What is the SMILES notation for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate?
The canonical SMILES for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate is CC1CC(C)CN(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)C1.
What is the InChIKey of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate?
The InChIKey is WDIOFAKYSRWICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-15-11-16(2)13-24(12-15)21(25)14-27-23(26)22-17-7-3-5-9-19(17)28-20-10-6-4-8-18(20)22/h3-10,15-16,22H,11-14H2,1-2H3.
What are the key properties of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate?
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate is sourced from PubChem (CID 3964401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).