1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone

C19H27N3O2 — CID 136580393

IUPAC1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCCCC1CN(C)C
InChIInChI=1S/C19H27N3O2/c1-14(23)22-17-10-5-4-8-15(17)12-18(22)19(24)21-11-7-6-9-16(21)13-20(2)3/h4-5,8,10,16,18H,6-7,9,11-13H2,1-3H3/t16?,18-/m0/s1
InChIKeyCZOUOSKBKGCARH-DAFXYXGESA-N
MW329.44 g/mol
LogP1.91
Rot. Bonds3

About 1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone

1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 136580393) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID136580393
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCCCC1CN(C)C
InChIInChI=1S/C19H27N3O2/c1-14(23)22-17-10-5-4-8-15(17)12-18(22)19(24)21-11-7-6-9-16(21)13-20(2)3/h4-5,8,10,16,18H,6-7,9,11-13H2,1-3H3/t16?,18-/m0/s1
InChIKeyCZOUOSKBKGCARH-DAFXYXGESA-N
XLogP1.91
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid
CID 124681571
(2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 110003645
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 62889291
1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 136580467
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide
CID 136580381
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 20954290
1-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20876883
1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 110023787
1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954459
1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 92710234

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone (CID 136580393) is 1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCCCC1CN(C)C.
What is the InChIKey of 1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is CZOUOSKBKGCARH-DAFXYXGESA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(23)22-17-10-5-4-8-15(17)12-18(22)19(24)21-11-7-6-9-16(21)13-20(2)3/h4-5,8,10,16,18H,6-7,9,11-13H2,1-3H3/t16?,18-/m0/s1.
What are the key properties of 1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 329.44 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 136580393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).