1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one

C19H27N3O — CID 91643924

IUPAC1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one
SMILESCCC1CCCCN1C(=O)C(C)Nc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C19H27N3O/c1-4-17-7-5-6-10-22(17)19(23)14(3)21-16-8-9-18-15(12-16)11-13(2)20-18/h8-9,11-12,14,17,20-21H,4-7,10H2,1-3H3
InChIKeyDGNLMKKVTUNUOH-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.07
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one

1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one (PubChem CID 91643924) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one
PubChem CID91643924
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one
SMILESCCC1CCCCN1C(=O)C(C)Nc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C19H27N3O/c1-4-17-7-5-6-10-22(17)19(23)14(3)21-16-8-9-18-15(12-16)11-13(2)20-18/h8-9,11-12,14,17,20-21H,4-7,10H2,1-3H3
InChIKeyDGNLMKKVTUNUOH-UHFFFAOYSA-N
XLogP4.07
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 78786224
1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one
CID 78788446
N-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 78839433
(2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide
CID 94658175
N-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47143464
(2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491129
1-cyclopentyl-3-(2-methyl-1H-indol-5-yl)urea
CID 38265150
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-methyl-1H-indol-5-yl)acetamide
CID 98417656
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382
[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone
CID 23401146
1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one
CID 55865666
1-(2-ethylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 134062684

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one (CID 91643924) is 1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one is CCC1CCCCN1C(=O)C(C)Nc1ccc2[nH]c(C)cc2c1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one?
The InChIKey is DGNLMKKVTUNUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-17-7-5-6-10-22(17)19(23)14(3)21-16-8-9-18-15(12-16)11-13(2)20-18/h8-9,11-12,14,17,20-21H,4-7,10H2,1-3H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one?
1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one has a molecular weight of 313.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one is sourced from PubChem (CID 91643924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).