[(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C22H31N3O — CID 140994893

IUPAC[(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESCCn1c(CC[C@@H]2CCCCN2C(=O)[C@H]2CCCN2)cc2ccccc21
InChIInChI=1S/C22H31N3O/c1-2-24-19(16-17-8-3-4-11-21(17)24)13-12-18-9-5-6-15-25(18)22(26)20-10-7-14-23-20/h3-4,8,11,16,18,20,23H,2,5-7,9-10,12-15H2,1H3/t18-,20+/m0/s1
InChIKeySUJFXQIQEPTBER-AZUAARDMSA-N
MW353.51 g/mol
LogP3.73
Rot. Bonds5

About [(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

[(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 140994893) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is [(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID140994893
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name[(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESCCn1c(CC[C@@H]2CCCCN2C(=O)[C@H]2CCCN2)cc2ccccc21
InChIInChI=1S/C22H31N3O/c1-2-24-19(16-17-8-3-4-11-21(17)24)13-12-18-9-5-6-15-25(18)22(26)20-10-7-14-23-20/h3-4,8,11,16,18,20,23H,2,5-7,9-10,12-15H2,1H3/t18-,20+/m0/s1
InChIKeySUJFXQIQEPTBER-AZUAARDMSA-N
XLogP3.73
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone with MolForge

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Related Compounds

(2-propylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 83052563
[2-(2-hydroxyethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61149225
piperidin-2-yl-(2-propylpiperidin-1-yl)methanone
CID 83053071
(2-ethylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103793731
(2-ethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61154160
(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831896
(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104912723
ethyl 2-[2-[(2S)-2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]piperidine-1-carbonyl]piperidin-1-yl]acetate
CID 70110063
3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid
CID 103868803
2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile
CID 20640434
2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile
CID 70108714
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 62479213

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 140994893) is [(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is CCn1c(CC[C@@H]2CCCCN2C(=O)[C@H]2CCCN2)cc2ccccc21.
What is the InChIKey of [(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is SUJFXQIQEPTBER-AZUAARDMSA-N. The full InChI is InChI=1S/C22H31N3O/c1-2-24-19(16-17-8-3-4-11-21(17)24)13-12-18-9-5-6-15-25(18)22(26)20-10-7-14-23-20/h3-4,8,11,16,18,20,23H,2,5-7,9-10,12-15H2,1H3/t18-,20+/m0/s1.
What are the key properties of [(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 353.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 140994893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).