2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone

C18H26N2O — CID 80563499

IUPAC2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)C2CNc3ccccc32)CC1
InChIInChI=1S/C18H26N2O/c1-2-6-14-7-5-11-20(12-10-14)18(21)16-13-19-17-9-4-3-8-15(16)17/h3-4,8-9,14,16,19H,2,5-7,10-13H2,1H3
InChIKeyWQFZVGWUODVWLY-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.62
Rot. Bonds3

About 2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone

2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone (PubChem CID 80563499) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone
PubChem CID80563499
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)C2CNc3ccccc32)CC1
InChIInChI=1S/C18H26N2O/c1-2-6-14-7-5-11-20(12-10-14)18(21)16-13-19-17-9-4-3-8-15(16)17/h3-4,8-9,14,16,19H,2,5-7,10-13H2,1H3
InChIKeyWQFZVGWUODVWLY-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 80563359
2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217204
1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 80565554
2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 80564449
1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 80566263
4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one
CID 49007468
cyclopropyl-(4-propylazepan-1-yl)methanone
CID 49008153
1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 80565592
2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 80565967
2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166261507
2-[2-(4-propylazepane-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79322507
4-(2,3-dihydro-1H-indole-3-carbonyl)piperazine-2,6-dione
CID 80567231

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone (CID 80563499) is 2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone is CCCC1CCCN(C(=O)C2CNc3ccccc32)CC1.
What is the InChIKey of 2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone?
The InChIKey is WQFZVGWUODVWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-6-14-7-5-11-20(12-10-14)18(21)16-13-19-17-9-4-3-8-15(16)17/h3-4,8-9,14,16,19H,2,5-7,10-13H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone?
2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone is sourced from PubChem (CID 80563499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).