2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone

C20H27N3O2 — CID 97160116

IUPAC2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN(Cc1cccc2[nH]ccc12)C[C@@H]1CCCO1)N1CCCC1
InChIInChI=1S/C20H27N3O2/c24-20(23-10-1-2-11-23)15-22(14-17-6-4-12-25-17)13-16-5-3-7-19-18(16)8-9-21-19/h3,5,7-9,17,21H,1-2,4,6,10-15H2/t17-/m0/s1
InChIKeyZBCNAIXBCDUHFI-KRWDZBQOSA-N
MW341.45 g/mol
LogP2.77
Rot. Bonds6

About 2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone

2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 97160116) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID97160116
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN(Cc1cccc2[nH]ccc12)C[C@@H]1CCCO1)N1CCCC1
InChIInChI=1S/C20H27N3O2/c24-20(23-10-1-2-11-23)15-22(14-17-6-4-12-25-17)13-16-5-3-7-19-18(16)8-9-21-19/h3,5,7-9,17,21H,1-2,4,6,10-15H2/t17-/m0/s1
InChIKeyZBCNAIXBCDUHFI-KRWDZBQOSA-N
XLogP2.77
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

2-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 94394221
2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 94394222
2-[1,2-oxazol-5-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 95903622
2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one
CID 135928644
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
CID 97250924
2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
CID 71988605
1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone
CID 60500781
N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 86911150
2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55832698
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160273
2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47077973
1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
CID 9055527

Frequently Asked Questions

What is the IUPAC name of 2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone (CID 97160116) is 2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone is O=C(CN(Cc1cccc2[nH]ccc12)C[C@@H]1CCCO1)N1CCCC1.
What is the InChIKey of 2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is ZBCNAIXBCDUHFI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-20(23-10-1-2-11-23)15-22(14-17-6-4-12-25-17)13-16-5-3-7-19-18(16)8-9-21-19/h3,5,7-9,17,21H,1-2,4,6,10-15H2/t17-/m0/s1.
What are the key properties of 2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone?
2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 341.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 97160116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).