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

C16H21N3O — CID 118145759

IUPAC1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CN
InChIInChI=1S/C16H21N3O/c1-11(20)19-7-6-12(8-13(19)9-17)15-10-18-16-5-3-2-4-14(15)16/h2-5,10,12-13,18H,6-9,17H2,1H3
InChIKeyGAVHMHHQFSEGSB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.22
Rot. Bonds2

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

1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone (PubChem CID 118145759) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone
PubChem CID118145759
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CN
InChIInChI=1S/C16H21N3O/c1-11(20)19-7-6-12(8-13(19)9-17)15-10-18-16-5-3-2-4-14(15)16/h2-5,10,12-13,18H,6-9,17H2,1H3
InChIKeyGAVHMHHQFSEGSB-UHFFFAOYSA-N
XLogP2.22
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol
CID 123796062
1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 157301954
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide
CID 134001798
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
3-(1H-indol-3-yl)cyclopentan-1-amine
CID 22386576
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole
CID 144855106
2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 152768012
[4-(1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120631960

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone (CID 118145759) is 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CN.
What is the InChIKey of 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is GAVHMHHQFSEGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(20)19-7-6-12(8-13(19)9-17)15-10-18-16-5-3-2-4-14(15)16/h2-5,10,12-13,18H,6-9,17H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone?
1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 271.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 118145759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).