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

C21H31N3O — CID 51594671

IUPAC[(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone
SMILESCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](CN(C)C)C3)ccc21
InChIInChI=1S/C21H31N3O/c1-6-24-16(3)15(2)19-12-18(9-10-20(19)24)21(25)23-11-7-8-17(14-23)13-22(4)5/h9-10,12,17H,6-8,11,13-14H2,1-5H3/t17-/m1/s1
InChIKeyCGGLFUCEYXIFCE-QGZVFWFLSA-N
MW341.50 g/mol
LogP3.69
Rot. Bonds4

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

[(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone (PubChem CID 51594671) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is [(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone
PubChem CID51594671
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name[(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone
SMILESCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](CN(C)C)C3)ccc21
InChIInChI=1S/C21H31N3O/c1-6-24-16(3)15(2)19-12-18(9-10-20(19)24)21(25)23-11-7-8-17(14-23)13-22(4)5/h9-10,12,17H,6-8,11,13-14H2,1-5H3/t17-/m1/s1
InChIKeyCGGLFUCEYXIFCE-QGZVFWFLSA-N
XLogP3.69
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953916
(1-ethyl-2,3-dimethylindol-5-yl)-thiomorpholin-4-ylmethanone
CID 5015099
[4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone
CID 95754456
(1-ethyl-2,3-dimethylindol-5-yl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95749738
1-ethyl-2,3-dimethylindole-5-carboxylic acid
CID 608826
(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43430156
formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide
CID 171688205
[4-(1-benzyl-2,3-dimethylindole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074923
[3-(bromomethyl)piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 80660500
6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid
CID 166289705
(1-benzyl-2,3-dimethylindol-5-yl)-(4-benzylpiperazin-1-yl)methanone
CID 1040631
(3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589508

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone?
The IUPAC name of [(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone (CID 51594671) is [(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone?
The canonical SMILES for [(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone is CCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](CN(C)C)C3)ccc21.
What is the InChIKey of [(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone?
The InChIKey is CGGLFUCEYXIFCE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H31N3O/c1-6-24-16(3)15(2)19-12-18(9-10-20(19)24)21(25)23-11-7-8-17(14-23)13-22(4)5/h9-10,12,17H,6-8,11,13-14H2,1-5H3/t17-/m1/s1.
What are the key properties of [(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone?
[(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone has a molecular weight of 341.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone is sourced from PubChem (CID 51594671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).