1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one

C18H23N3O — CID 85273470

IUPAC1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one
SMILESCCC(=O)N1CC2CCC(C1)N2Cc1cc2ccccc2[nH]1
InChIInChI=1S/C18H23N3O/c1-2-18(22)20-11-15-7-8-16(12-20)21(15)10-14-9-13-5-3-4-6-17(13)19-14/h3-6,9,15-16,19H,2,7-8,10-12H2,1H3
InChIKeyKIJWSHBHNOESGI-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.75
Rot. Bonds3

About 1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one

1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one (PubChem CID 85273470) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one
PubChem CID85273470
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one
SMILESCCC(=O)N1CC2CCC(C1)N2Cc1cc2ccccc2[nH]1
InChIInChI=1S/C18H23N3O/c1-2-18(22)20-11-15-7-8-16(12-20)21(15)10-14-9-13-5-3-4-6-17(13)19-14/h3-6,9,15-16,19H,2,7-8,10-12H2,1H3
InChIKeyKIJWSHBHNOESGI-UHFFFAOYSA-N
XLogP2.75
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one with MolForge

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Related Compounds

1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
1-[(1R,5S)-8-(8,9-dihydro-7H-benzo[7]annulen-6-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one
CID 10758349
1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367403
N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide
CID 95208919
ethanol;2-(1H-indol-2-yl)acetic acid
CID 157082351
(3S)-N-[2-(1H-indol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboxamide
CID 124577288
tert-butyl (3R,4S)-3-ethyl-4-(1H-indol-2-ylmethyl)piperidine-1-carboxylate
CID 101450013
1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56800366
1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
CID 113088532
3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 166247184
[4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone
CID 155953233
ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate
CID 70848389

Frequently Asked Questions

What is the IUPAC name of 1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one?
The IUPAC name of 1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one (CID 85273470) is 1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one.
What is the SMILES notation for 1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one?
The canonical SMILES for 1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one is CCC(=O)N1CC2CCC(C1)N2Cc1cc2ccccc2[nH]1.
What is the InChIKey of 1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one?
The InChIKey is KIJWSHBHNOESGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-18(22)20-11-15-7-8-16(12-20)21(15)10-14-9-13-5-3-4-6-17(13)19-14/h3-6,9,15-16,19H,2,7-8,10-12H2,1H3.
What are the key properties of 1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one?
1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one has a molecular weight of 297.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(1H-indol-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one is sourced from PubChem (CID 85273470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).