(1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide

C17H21N3O — CID 98783268

IUPAC(1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@@]12CCNC[C@H]1C2
InChIInChI=1S/C17H21N3O/c21-16(17-6-8-18-11-13(17)9-17)19-7-5-12-10-20-15-4-2-1-3-14(12)15/h1-4,10,13,18,20H,5-9,11H2,(H,19,21)/t13-,17-/m1/s1
InChIKeyCHALLKJGHPLNIQ-CXAGYDPISA-N
MW283.37 g/mol
LogP1.83
Rot. Bonds4

About (1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide

(1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide (PubChem CID 98783268) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is (1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide.

Molecular Properties

Compound Name(1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide
PubChem CID98783268
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name(1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@@]12CCNC[C@H]1C2
InChIInChI=1S/C17H21N3O/c21-16(17-6-8-18-11-13(17)9-17)19-7-5-12-10-20-15-4-2-1-3-14(12)15/h1-4,10,13,18,20H,5-9,11H2,(H,19,21)/t13-,17-/m1/s1
InChIKeyCHALLKJGHPLNIQ-CXAGYDPISA-N
XLogP1.83
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide with MolForge

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 172894557
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]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride
CID 154895653
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 61258585
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108978254
1-N'-[2-(dimethylamino)ethyl]-1-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108973434
1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 2466291
3-amino-N-[2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 64893613
N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119778849
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
CID 119778812

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide?
The IUPAC name of (1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide (CID 98783268) is (1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide.
What is the SMILES notation for (1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide?
The canonical SMILES for (1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide is O=C(NCCc1c[nH]c2ccccc12)[C@@]12CCNC[C@H]1C2.
What is the InChIKey of (1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide?
The InChIKey is CHALLKJGHPLNIQ-CXAGYDPISA-N. The full InChI is InChI=1S/C17H21N3O/c21-16(17-6-8-18-11-13(17)9-17)19-7-5-12-10-20-15-4-2-1-3-14(12)15/h1-4,10,13,18,20H,5-9,11H2,(H,19,21)/t13-,17-/m1/s1.
What are the key properties of (1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide?
(1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide is sourced from PubChem (CID 98783268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).