(2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide

C17H23N3O — CID 61178008

IUPAC(2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NC1CCN2CCCCC12)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C17H23N3O/c21-17(15-11-12-5-1-2-6-13(12)18-15)19-14-8-10-20-9-4-3-7-16(14)20/h1-2,5-6,14-16,18H,3-4,7-11H2,(H,19,21)/t14?,15-,16?/m0/s1
InChIKeyGQQRNPLUPKZQSN-PCKAHOCUSA-N
MW285.39 g/mol
LogP1.77
Rot. Bonds2

About (2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61178008) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61178008
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NC1CCN2CCCCC12)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C17H23N3O/c21-17(15-11-12-5-1-2-6-13(12)18-15)19-14-8-10-20-9-4-3-7-16(14)20/h1-2,5-6,14-16,18H,3-4,7-11H2,(H,19,21)/t14?,15-,16?/m0/s1
InChIKeyGQQRNPLUPKZQSN-PCKAHOCUSA-N
XLogP1.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896194
(2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 107221687
N-(2-methylcyclopentyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76993656
N-piperidin-1-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 83022174
(2S)-N-piperidin-1-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 83020881
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-2-carboxamide
CID 43696375
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 76985611
N-(2,2,3,3-tetramethylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567392
3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 77110035
(2S)-N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61156890

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide (CID 61178008) is (2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(NC1CCN2CCCCC12)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is GQQRNPLUPKZQSN-PCKAHOCUSA-N. The full InChI is InChI=1S/C17H23N3O/c21-17(15-11-12-5-1-2-6-13(12)18-15)19-14-8-10-20-9-4-3-7-16(14)20/h1-2,5-6,14-16,18H,3-4,7-11H2,(H,19,21)/t14?,15-,16?/m0/s1.
What are the key properties of (2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61178008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).