(6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone

C17H23N3O — CID 103504928

IUPAC(6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2c[nH]c3cc(N)ccc23)CC1
InChIInChI=1S/C17H23N3O/c1-11(2)12-5-7-20(8-6-12)17(21)15-10-19-16-9-13(18)3-4-14(15)16/h3-4,9-12,19H,5-8,18H2,1-2H3
InChIKeyZKVJKOFEYLTMNO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.26
Rot. Bonds2

About (6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone

(6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103504928) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID103504928
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2c[nH]c3cc(N)ccc23)CC1
InChIInChI=1S/C17H23N3O/c1-11(2)12-5-7-20(8-6-12)17(21)15-10-19-16-9-13(18)3-4-14(15)16/h3-4,9-12,19H,5-8,18H2,1-2H3
InChIKeyZKVJKOFEYLTMNO-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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

(6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106667079
(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504947
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
(6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093708
4-(6-amino-1H-indole-3-carbonyl)-1,4-diazepan-2-one
CID 65360926
(5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954842
4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile
CID 79664535
(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119821044
(5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156979
ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate
CID 61498215
(5-amino-2-methyl-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504927
6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
CID 62334013

Frequently Asked Questions

What is the IUPAC name of (6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103504928) is (6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)c2c[nH]c3cc(N)ccc23)CC1.
What is the InChIKey of (6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is ZKVJKOFEYLTMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)12-5-7-20(8-6-12)17(21)15-10-19-16-9-13(18)3-4-14(15)16/h3-4,9-12,19H,5-8,18H2,1-2H3.
What are the key properties of (6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103504928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).