1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone

C15H19N3O — CID 112530969

IUPAC1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone
SMILESNC1CCCN(C(=O)Cc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C15H19N3O/c16-13-2-1-7-18(10-13)15(19)9-11-3-4-12-5-6-17-14(12)8-11/h3-6,8,13,17H,1-2,7,9-10,16H2
InChIKeyJVTNZICBSAITBC-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.66
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone

1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone (PubChem CID 112530969) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone
PubChem CID112530969
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone
SMILESNC1CCCN(C(=O)Cc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C15H19N3O/c16-13-2-1-7-18(10-13)15(19)9-11-3-4-12-5-6-17-14(12)8-11/h3-6,8,13,17H,1-2,7,9-10,16H2
InChIKeyJVTNZICBSAITBC-UHFFFAOYSA-N
XLogP1.66
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530782
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate
CID 84577392
1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone
CID 112531741
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone
CID 115277195
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-bromo-3-fluorophenyl)ethanone
CID 176515881
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-bromo-3-fluorophenyl)ethanone;hydrochloride
CID 176515880
1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone
CID 115277206
1-(3-aminopiperidin-1-yl)-2-(3-iodophenyl)ethanone;hydrochloride
CID 119378221

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone (CID 112530969) is 1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone is NC1CCCN(C(=O)Cc2ccc3cc[nH]c3c2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone?
The InChIKey is JVTNZICBSAITBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-13-2-1-7-18(10-13)15(19)9-11-3-4-12-5-6-17-14(12)8-11/h3-6,8,13,17H,1-2,7,9-10,16H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone?
1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone has a molecular weight of 257.34 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone is sourced from PubChem (CID 112530969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).