[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone

C20H29N3O2 — CID 92599969

IUPAC[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone
SMILESCOc1ccc2c(c1)c(C)c(C(=O)N1CCCC[C@H]1CN(C)C)n2C
InChIInChI=1S/C20H29N3O2/c1-14-17-12-16(25-5)9-10-18(17)22(4)19(14)20(24)23-11-7-6-8-15(23)13-21(2)3/h9-10,12,15H,6-8,11,13H2,1-5H3/t15-/m0/s1
InChIKeyGDFRYMKSDFOSGW-HNNXBMFYSA-N
MW343.47 g/mol
LogP3.05
Rot. Bonds4

About [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone

[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone (PubChem CID 92599969) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone
PubChem CID92599969
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone
SMILESCOc1ccc2c(c1)c(C)c(C(=O)N1CCCC[C@H]1CN(C)C)n2C
InChIInChI=1S/C20H29N3O2/c1-14-17-12-16(25-5)9-10-18(17)22(4)19(14)20(24)23-11-7-6-8-15(23)13-21(2)3/h9-10,12,15H,6-8,11,13H2,1-5H3/t15-/m0/s1
InChIKeyGDFRYMKSDFOSGW-HNNXBMFYSA-N
XLogP3.05
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-methoxyphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 115413192
(5-ethoxy-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 110499037
2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 916245
[2-(bromomethyl)piperidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 80659061
ethyl 2-[1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-2-yl]acetate
CID 70733882
ethyl 3-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1-methylindole-2-carboxylate
CID 5112312
(5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 74238881
(5-chloro-1-ethyl-3-methylindol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 110498961
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methoxybenzoic acid
CID 81305180
[2-(bromomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 80659468
[2-(bromomethyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 80659839
(4-amino-2-methylphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62886056

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone?
The IUPAC name of [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone (CID 92599969) is [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone.
What is the SMILES notation for [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone?
The canonical SMILES for [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone is COc1ccc2c(c1)c(C)c(C(=O)N1CCCC[C@H]1CN(C)C)n2C.
What is the InChIKey of [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone?
The InChIKey is GDFRYMKSDFOSGW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-17-12-16(25-5)9-10-18(17)22(4)19(14)20(24)23-11-7-6-8-15(23)13-21(2)3/h9-10,12,15H,6-8,11,13H2,1-5H3/t15-/m0/s1.
What are the key properties of [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone?
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone has a molecular weight of 343.47 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methoxy-1,3-dimethylindol-2-yl)methanone is sourced from PubChem (CID 92599969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).