(4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone

C26H30N2O3 — CID 55950323

IUPAC(4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)CC1
InChIInChI=1S/C26H30N2O3/c1-18-10-14-27(15-11-18)25(29)19-12-16-28(17-13-19)26(30)24-20-6-2-4-8-22(20)31-23-9-5-3-7-21(23)24/h2-9,18-19,24H,10-17H2,1H3
InChIKeyPQLOJLXQORZKKO-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.42
Rot. Bonds2

About (4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone (PubChem CID 55950323) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone
PubChem CID55950323
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name(4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)CC1
InChIInChI=1S/C26H30N2O3/c1-18-10-14-27(15-11-18)25(29)19-12-16-28(17-13-19)26(30)24-20-6-2-4-8-22(20)31-23-9-5-3-7-21(23)24/h2-9,18-19,24H,10-17H2,1H3
InChIKeyPQLOJLXQORZKKO-UHFFFAOYSA-N
XLogP4.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate
CID 1147765
N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide
CID 55903636
(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
2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119297409
[3-(hydroxymethyl)azetidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 121105783
[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 119944801
(3R,4R)-4-cyclopropyl-1-(9H-xanthene-9-carbonyl)pyrrolidine-3-carboxylic acid
CID 120979198
2-methyl-1-(9H-xanthen-9-yl)propan-1-one
CID 79299133
[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 90539924

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone (CID 55950323) is (4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone is CC1CCN(C(=O)C2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone?
The InChIKey is PQLOJLXQORZKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-18-10-14-27(15-11-18)25(29)19-12-16-28(17-13-19)26(30)24-20-6-2-4-8-22(20)31-23-9-5-3-7-21(23)24/h2-9,18-19,24H,10-17H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone has a molecular weight of 418.54 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55950323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).