(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone

C17H22N2O — CID 65281682

IUPAC(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-17(2)8-5-10-19(11-9-17)16(20)14-12-18-15-7-4-3-6-13(14)15/h3-4,6-7,12,18H,5,8-11H2,1-2H3
InChIKeyRSPXRVGUDCCJIP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.82
Rot. Bonds1

About (4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone

(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone (PubChem CID 65281682) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
PubChem CID65281682
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-17(2)8-5-10-19(11-9-17)16(20)14-12-18-15-7-4-3-6-13(14)15/h3-4,6-7,12,18H,5,8-11H2,1-2H3
InChIKeyRSPXRVGUDCCJIP-UHFFFAOYSA-N
XLogP3.82
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 79036861
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50985596
1-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]pentan-1-one
CID 49206011
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
(3,3-dimethylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 115273190
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816742
1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91917986
[9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone
CID 39378328
2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]propanamide
CID 47087719
1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone
CID 15952131

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone?
The IUPAC name of (4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone (CID 65281682) is (4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone.
What is the SMILES notation for (4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone?
The canonical SMILES for (4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone is CC1(C)CCCN(C(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone?
The InChIKey is RSPXRVGUDCCJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(2)8-5-10-19(11-9-17)16(20)14-12-18-15-7-4-3-6-13(14)15/h3-4,6-7,12,18H,5,8-11H2,1-2H3.
What are the key properties of (4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone?
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone has a molecular weight of 270.38 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone is sourced from PubChem (CID 65281682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).