(4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone

C23H26N2O2 — CID 131703888

IUPAC(4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C23H26N2O2/c26-23(25-14-6-13-24(15-16-25)17-7-5-8-17)22-18-9-1-3-11-20(18)27-21-12-4-2-10-19(21)22/h1-4,9-12,17,22H,5-8,13-16H2
InChIKeyVOYXIOGPWRYBAP-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.01
Rot. Bonds2

About (4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone

(4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone (PubChem CID 131703888) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Name(4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone
PubChem CID131703888
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C23H26N2O2/c26-23(25-14-6-13-24(15-16-25)17-7-5-8-17)22-18-9-1-3-11-20(18)27-21-12-4-2-10-19(21)22/h1-4,9-12,17,22H,5-8,13-16H2
InChIKeyVOYXIOGPWRYBAP-UHFFFAOYSA-N
XLogP4.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(thian-4-yl)-1,4-diazepan-1-yl]-(9H-xanthen-9-yl)methanone
CID 122245357
(4-methyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone
CID 17164721
(4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone
CID 71805694
(4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone
CID 55950323
methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate
CID 1147765
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(9H-xanthen-9-yl)methanone
CID 1246532
[3-(hydroxymethyl)azetidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 121105783
1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine
CID 21482881
[4-(4-nitrophenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
CID 2862465
N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 71896595
(4-benzhydrylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone chloride
CID 44660412
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 51120867

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone?
The IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone (CID 131703888) is (4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone.
What is the SMILES notation for (4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone?
The canonical SMILES for (4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone is O=C(C1c2ccccc2Oc2ccccc21)N1CCCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone?
The InChIKey is VOYXIOGPWRYBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-23(25-14-6-13-24(15-16-25)17-7-5-8-17)22-18-9-1-3-11-20(18)27-21-12-4-2-10-19(21)22/h1-4,9-12,17,22H,5-8,13-16H2.
What are the key properties of (4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone?
(4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone has a molecular weight of 362.47 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 131703888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).