azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone

C21H27N3O3 — CID 110246363

IUPACazepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone
SMILESCc1[nH]c2ccccc2c1C(=O)N1CCOC(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C21H27N3O3/c1-15-19(16-8-4-5-9-17(16)22-15)21(26)24-12-13-27-18(14-24)20(25)23-10-6-2-3-7-11-23/h4-5,8-9,18,22H,2-3,6-7,10-14H2,1H3
InChIKeyAXYMAQTXRBSCCR-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.72
Rot. Bonds2

About azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone

azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone (PubChem CID 110246363) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone
PubChem CID110246363
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Nameazepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone
SMILESCc1[nH]c2ccccc2c1C(=O)N1CCOC(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C21H27N3O3/c1-15-19(16-8-4-5-9-17(16)22-15)21(26)24-12-13-27-18(14-24)20(25)23-10-6-2-3-7-11-23/h4-5,8-9,18,22H,2-3,6-7,10-14H2,1H3
InChIKeyAXYMAQTXRBSCCR-UHFFFAOYSA-N
XLogP2.72
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 110246452
1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 43355842
ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate
CID 51112478
(3R)-1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-sulfonamide
CID 95905379
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 55650120
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 62348603
1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805781
4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119239332
ethyl 4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110809009
2-ethyl-1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110807639
3-methyl-4-(pyrrolidine-1-carbonyl)-1H-quinolin-2-one
CID 131849523
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone?
The IUPAC name of azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone (CID 110246363) is azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone is Cc1[nH]c2ccccc2c1C(=O)N1CCOC(C(=O)N2CCCCCC2)C1.
What is the InChIKey of azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone?
The InChIKey is AXYMAQTXRBSCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-19(16-8-4-5-9-17(16)22-15)21(26)24-12-13-27-18(14-24)20(25)23-10-6-2-3-7-11-23/h4-5,8-9,18,22H,2-3,6-7,10-14H2,1H3.
What are the key properties of azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone?
azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone is sourced from PubChem (CID 110246363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).