N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide

C16H19N3O — CID 172894557

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C12CNCC1C2
InChIInChI=1S/C16H19N3O/c20-15(16-7-12(16)9-17-10-16)18-6-5-11-8-19-14-4-2-1-3-13(11)14/h1-4,8,12,17,19H,5-7,9-10H2,(H,18,20)
InChIKeyLNGGVOBUEIXUFU-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.44
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 172894557) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
PubChem CID172894557
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C12CNCC1C2
InChIInChI=1S/C16H19N3O/c20-15(16-7-12(16)9-17-10-16)18-6-5-11-8-19-14-4-2-1-3-13(11)14/h1-4,8,12,17,19H,5-7,9-10H2,(H,18,20)
InChIKeyLNGGVOBUEIXUFU-UHFFFAOYSA-N
XLogP1.44
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide
CID 98783268
3-acetyl-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide
CID 131661643
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 61258585
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-amino-N-[2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 64893613
1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 2466291
1-N'-[2-(dimethylamino)ethyl]-1-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108973434
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108978254
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
CID 119778812

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide (CID 172894557) is N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C12CNCC1C2.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is LNGGVOBUEIXUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-15(16-7-12(16)9-17-10-16)18-6-5-11-8-19-14-4-2-1-3-13(11)14/h1-4,8,12,17,19H,5-7,9-10H2,(H,18,20).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 172894557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).