[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone

C17H23N3O — CID 95302509

IUPAC[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
SMILESCN(C)C[C@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H23N3O/c1-19(2)12-15-5-3-4-10-20(15)17(21)14-7-6-13-8-9-18-16(13)11-14/h6-9,11,15,18H,3-5,10,12H2,1-2H3/t15-/m1/s1
InChIKeyVBVMIHPHFDYCIX-OAHLLOKOSA-N
MW285.39 g/mol
LogP2.72
Rot. Bonds3

About [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone

[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone (PubChem CID 95302509) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
PubChem CID95302509
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
SMILESCN(C)C[C@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H23N3O/c1-19(2)12-15-5-3-4-10-20(15)17(21)14-7-6-13-8-9-18-16(13)11-14/h6-9,11,15,18H,3-5,10,12H2,1-2H3/t15-/m1/s1
InChIKeyVBVMIHPHFDYCIX-OAHLLOKOSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone
CID 116635828
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95602971
1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 71862043
(2-cyclopentylpyrrolidin-1-yl)-(1H-indol-6-yl)methanone
CID 61073765
1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96572403
(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116493
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95343101
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 95606027
(3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62885357
(4-amino-3-hydroxyphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 107075186
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 95591150

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone?
The IUPAC name of [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone (CID 95302509) is [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone.
What is the SMILES notation for [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone?
The canonical SMILES for [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone is CN(C)C[C@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone?
The InChIKey is VBVMIHPHFDYCIX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19(2)12-15-5-3-4-10-20(15)17(21)14-7-6-13-8-9-18-16(13)11-14/h6-9,11,15,18H,3-5,10,12H2,1-2H3/t15-/m1/s1.
What are the key properties of [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone?
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone is sourced from PubChem (CID 95302509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).