(7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide

C17H19N3O2 — CID 171088079

IUPAC(7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide
SMILESNC(=O)[C@@H]1CC2(CCC2)CN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H19N3O2/c18-15(21)14-9-17(6-3-7-17)10-20(14)16(22)13-8-11-4-1-2-5-12(11)19-13/h1-2,4-5,8,14,19H,3,6-7,9-10H2,(H2,18,21)/t14-/m0/s1
InChIKeyMQCHBASIPGBNPV-AWEZNQCLSA-N
MW297.36 g/mol
LogP2.04
Rot. Bonds2

About (7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide

(7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide (PubChem CID 171088079) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide.

Molecular Properties

Compound Name(7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide
PubChem CID171088079
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide
SMILESNC(=O)[C@@H]1CC2(CCC2)CN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H19N3O2/c18-15(21)14-9-17(6-3-7-17)10-20(14)16(22)13-8-11-4-1-2-5-12(11)19-13/h1-2,4-5,8,14,19H,3,6-7,9-10H2,(H2,18,21)/t14-/m0/s1
InChIKeyMQCHBASIPGBNPV-AWEZNQCLSA-N
XLogP2.04
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide with MolForge

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Related Compounds

1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
CID 43187100
(2-bromopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 90014378
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
(2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151803
(1-carbamoylcyclobutyl) 1H-indole-2-carboxylate
CID 91407160
methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate
CID 93317948
(6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-(1H-pyrazol-5-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide
CID 162695887
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95718598
(2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 95196207
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820473

Frequently Asked Questions

What is the IUPAC name of (7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide?
The IUPAC name of (7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide (CID 171088079) is (7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide.
What is the SMILES notation for (7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide?
The canonical SMILES for (7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide is NC(=O)[C@@H]1CC2(CCC2)CN1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of (7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide?
The InChIKey is MQCHBASIPGBNPV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-15(21)14-9-17(6-3-7-17)10-20(14)16(22)13-8-11-4-1-2-5-12(11)19-13/h1-2,4-5,8,14,19H,3,6-7,9-10H2,(H2,18,21)/t14-/m0/s1.
What are the key properties of (7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide?
(7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-6-(1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide is sourced from PubChem (CID 171088079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).