1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone

C16H21N3O — CID 28706781

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESNCC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H21N3O/c17-10-12-5-7-19(8-6-12)16(20)9-13-11-18-15-4-2-1-3-14(13)15/h1-4,11-12,18H,5-10,17H2
InChIKeyTVWYERLZSOQXNS-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.91
Rot. Bonds3

About 1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 28706781) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID28706781
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESNCC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H21N3O/c17-10-12-5-7-19(8-6-12)16(20)9-13-11-18-15-4-2-1-3-14(13)15/h1-4,11-12,18H,5-10,17H2
InChIKeyTVWYERLZSOQXNS-UHFFFAOYSA-N
XLogP1.91
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone with MolForge

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Related Compounds

1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890
1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
CID 56912314
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 134023907
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
2-[(1S,3R)-3-aminocyclohexyl]-1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 167807322
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
1-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 126855901
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734
2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 113003641
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 28706781) is 1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone is NCC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is TVWYERLZSOQXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-10-12-5-7-19(8-6-12)16(20)9-13-11-18-15-4-2-1-3-14(13)15/h1-4,11-12,18H,5-10,17H2.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 28706781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).