(5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone

C17H23N3O — CID 63156979

IUPAC(5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)c2c[nH]c3ccc(N)cc23)CC1
InChIInChI=1S/C17H23N3O/c1-3-17(2)6-8-20(9-7-17)16(21)14-11-19-15-5-4-12(18)10-13(14)15/h4-5,10-11,19H,3,6-9,18H2,1-2H3
InChIKeyNEWRKHAUACQBTI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.40
Rot. Bonds2

About (5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone

(5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone (PubChem CID 63156979) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
PubChem CID63156979
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)c2c[nH]c3ccc(N)cc23)CC1
InChIInChI=1S/C17H23N3O/c1-3-17(2)6-8-20(9-7-17)16(21)14-11-19-15-5-4-12(18)10-13(14)15/h4-5,10-11,19H,3,6-9,18H2,1-2H3
InChIKeyNEWRKHAUACQBTI-UHFFFAOYSA-N
XLogP3.40
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407257
(5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954842
(5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 63117009
(5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585591
(6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504928
(5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 63116363
(6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093708
5-amino-1H-indole-3-carboxylate
CID 36690512
(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 79036861
(5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63156762
1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 113205617
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116494

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone (CID 63156979) is (5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone is CCC1(C)CCN(C(=O)c2c[nH]c3ccc(N)cc23)CC1.
What is the InChIKey of (5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The InChIKey is NEWRKHAUACQBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-17(2)6-8-20(9-7-17)16(21)14-11-19-15-5-4-12(18)10-13(14)15/h4-5,10-11,19H,3,6-9,18H2,1-2H3.
What are the key properties of (5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
(5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 63156979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).