methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate

C21H21NO4 — CID 1147765

IUPACmethyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C21H21NO4/c1-25-21(24)14-10-12-22(13-11-14)20(23)19-15-6-2-4-8-17(15)26-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3
InChIKeyIAOHYQLGUAFNNA-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.34
Rot. Bonds2

About methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate

methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate (PubChem CID 1147765) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate
PubChem CID1147765
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Namemethyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C21H21NO4/c1-25-21(24)14-10-12-22(13-11-14)20(23)19-15-6-2-4-8-17(15)26-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3
InChIKeyIAOHYQLGUAFNNA-UHFFFAOYSA-N
XLogP3.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone
CID 55950323
(4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone
CID 71805694
(4-methyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone
CID 17164721
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(9H-xanthen-9-yl)methanone
CID 1246532
(4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone
CID 131703888
methyl 5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565363
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 23587391
2-methoxy-N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 1057877
[3-(hydroxymethyl)azetidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 121105783
(4-phthalazin-1-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone
CID 90560342
methyl 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-4-carboxylate
CID 82186516
methyl 1-[(2R)-2-amino-2-phenylacetyl]piperidine-4-carboxylate
CID 61147926

Frequently Asked Questions

What is the IUPAC name of methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate (CID 1147765) is methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate?
The InChIKey is IAOHYQLGUAFNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-25-21(24)14-10-12-22(13-11-14)20(23)19-15-6-2-4-8-17(15)26-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3.
What are the key properties of methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate?
methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate has a molecular weight of 351.40 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 1147765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).