2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide

C21H30N4O3 — CID 51596931

IUPAC2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide
SMILESCOc1ccc2c(c1)c(CN1CCN(C[C@@H]3CCCO3)CC1)cn2CC(N)=O
InChIInChI=1S/C21H30N4O3/c1-27-17-4-5-20-19(11-17)16(13-25(20)15-21(22)26)12-23-6-8-24(9-7-23)14-18-3-2-10-28-18/h4-5,11,13,18H,2-3,6-10,12,14-15H2,1H3,(H2,22,26)/t18-/m0/s1
InChIKeyPAJUKFVOWIVAKX-SFHVURJKSA-N
MW386.50 g/mol
LogP1.43
Rot. Bonds7

About 2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide

2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide (PubChem CID 51596931) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide
PubChem CID51596931
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide
SMILESCOc1ccc2c(c1)c(CN1CCN(C[C@@H]3CCCO3)CC1)cn2CC(N)=O
InChIInChI=1S/C21H30N4O3/c1-27-17-4-5-20-19(11-17)16(13-25(20)15-21(22)26)12-23-6-8-24(9-7-23)14-18-3-2-10-28-18/h4-5,11,13,18H,2-3,6-10,12,14-15H2,1H3,(H2,22,26)/t18-/m0/s1
InChIKeyPAJUKFVOWIVAKX-SFHVURJKSA-N
XLogP1.43
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide?
The IUPAC name of 2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide (CID 51596931) is 2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide is COc1ccc2c(c1)c(CN1CCN(C[C@@H]3CCCO3)CC1)cn2CC(N)=O.
What is the InChIKey of 2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide?
The InChIKey is PAJUKFVOWIVAKX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-27-17-4-5-20-19(11-17)16(13-25(20)15-21(22)26)12-23-6-8-24(9-7-23)14-18-3-2-10-28-18/h4-5,11,13,18H,2-3,6-10,12,14-15H2,1H3,(H2,22,26)/t18-/m0/s1.
What are the key properties of 2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide?
2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-3-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]indol-1-yl]acetamide is sourced from PubChem (CID 51596931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).