[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone

C17H23N3O — CID 63723758

IUPAC[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
SMILESCN(C)CC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C17H23N3O/c1-19(2)12-13-6-9-20(10-7-13)17(21)15-3-4-16-14(11-15)5-8-18-16/h3-5,8,11,13,18H,6-7,9-10,12H2,1-2H3
InChIKeyWNFFHYVGTSNZLG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.58
Rot. Bonds3

About [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone

[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 63723758) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID63723758
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
SMILESCN(C)CC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C17H23N3O/c1-19(2)12-13-6-9-20(10-7-13)17(21)15-3-4-16-14(11-15)5-8-18-16/h3-5,8,11,13,18H,6-7,9-10,12H2,1-2H3
InChIKeyWNFFHYVGTSNZLG-UHFFFAOYSA-N
XLogP2.58
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 115775238
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 62906319
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 126779705
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95302509
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 70776536
[(2S,5S)-2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-(1H-indol-5-yl)methanone
CID 124816715
[2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-(1H-indol-5-yl)methanone
CID 131642167
6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862236
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
(1R,2S,8R,9S)-8-[(dimethylamino)methyl]-11-(1H-indole-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 169421107
1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899305

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone (CID 63723758) is [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone is CN(C)CC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is WNFFHYVGTSNZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19(2)12-13-6-9-20(10-7-13)17(21)15-3-4-16-14(11-15)5-8-18-16/h3-5,8,11,13,18H,6-7,9-10,12H2,1-2H3.
What are the key properties of [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone?
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 63723758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).