(2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

C16H17BrN2O2 — CID 15956433

IUPAC(2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C([C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12)N1CCCCC1
InChIInChI=1S/C16H17BrN2O2/c17-10-4-5-13-11(8-10)16(15(21)18-13)9-12(16)14(20)19-6-2-1-3-7-19/h4-5,8,12H,1-3,6-7,9H2,(H,18,21)/t12-,16-/m1/s1
InChIKeyNUWOLSOIOZSWSP-MLGOLLRUSA-N
MW349.23 g/mol
LogP2.67
Rot. Bonds1

About (2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956433) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is (2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956433
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name(2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C([C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12)N1CCCCC1
InChIInChI=1S/C16H17BrN2O2/c17-10-4-5-13-11(8-10)16(15(21)18-13)9-12(16)14(20)19-6-2-1-3-7-19/h4-5,8,12H,1-3,6-7,9H2,(H,18,21)/t12-,16-/m1/s1
InChIKeyNUWOLSOIOZSWSP-MLGOLLRUSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5'-Bromo-2-butyl-spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956438
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-(4-piperidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 49779990
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-(5-pyrrolidin-1-ylpentyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495044
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-(piperidin-4-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495075
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67496162
5-bromo-3,3-dimethyl-2,3-dihydro-1H-indol-2-one
CID 12052796
N-(4-bromo-2-methylphenyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 4789729
(1S,2S)-5'-bromo-2-(pyrrolidine-1-carbonyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956432
(1S,2S)-5'-bromo-2-(thiazolidine-3-carbonyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956434
(1S,2S)-5'-bromo-N-methoxy-N-methyl-2'-oxo-spiro[cyclopropane-2,3'-indoline]-1-carboxamide
CID 15956435
(1S,2S)-5'-bromo-2-pentanoyl-spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956436
5-bromo-2'-hept-1-ynylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 44410114

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956433) is (2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C([C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12)N1CCCCC1.
What is the InChIKey of (2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is NUWOLSOIOZSWSP-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-10-4-5-13-11(8-10)16(15(21)18-13)9-12(16)14(20)19-6-2-1-3-7-19/h4-5,8,12H,1-3,6-7,9H2,(H,18,21)/t12-,16-/m1/s1.
What are the key properties of (2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 349.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-5-bromo-2'-(piperidine-1-carbonyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).