(6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone

C20H21N3O2 — CID 7070196

IUPAC(6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CCCC[C@H]3c3cccnc3)[nH]c2c1
InChIInChI=1S/C20H21N3O2/c1-25-16-8-7-14-11-18(22-17(14)12-16)20(24)23-10-3-2-6-19(23)15-5-4-9-21-13-15/h4-5,7-9,11-13,19,22H,2-3,6,10H2,1H3/t19-/m0/s1
InChIKeyXTABQVKCUOFNDU-IBGZPJMESA-N
MW335.41 g/mol
LogP3.94
Rot. Bonds3

About (6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone

(6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone (PubChem CID 7070196) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
PubChem CID7070196
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CCCC[C@H]3c3cccnc3)[nH]c2c1
InChIInChI=1S/C20H21N3O2/c1-25-16-8-7-14-11-18(22-17(14)12-16)20(24)23-10-3-2-6-19(23)15-5-4-9-21-13-15/h4-5,7-9,11-13,19,22H,2-3,6,10H2,1H3/t19-/m0/s1
InChIKeyXTABQVKCUOFNDU-IBGZPJMESA-N
XLogP3.94
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
6-[2-(3-methoxyphenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70774580
1-(6-methoxy-1H-indole-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 51078250
[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 118786072
N-(4-methoxybenzoyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 23738906
3,5-dimethoxy-N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide
CID 3808385
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145859
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145858
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178094996
3-[(2S)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 94578408
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(5-methoxy-1H-indol-2-yl)-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125021984

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The IUPAC name of (6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone (CID 7070196) is (6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The canonical SMILES for (6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone is COc1ccc2cc(C(=O)N3CCCC[C@H]3c3cccnc3)[nH]c2c1.
What is the InChIKey of (6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The InChIKey is XTABQVKCUOFNDU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-16-8-7-14-11-18(22-17(14)12-16)20(24)23-10-3-2-6-19(23)15-5-4-9-21-13-15/h4-5,7-9,11-13,19,22H,2-3,6,10H2,1H3/t19-/m0/s1.
What are the key properties of (6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
(6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 7070196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).