N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide

C26H34N2O2S — CID 25484957

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1
InChIInChI=1S/C26H34N2O2S/c29-26(14-21-9-13-31-19-21)28(18-25-6-3-12-30-25)17-20-7-10-27(11-8-20)24-15-22-4-1-2-5-23(22)16-24/h1-2,4-5,9,13,19-20,24-25H,3,6-8,10-12,14-18H2/t25-/m1/s1
InChIKeyFDUAKJUGDYLXLR-RUZDIDTESA-N
MW438.64 g/mol
LogP4.18
Rot. Bonds7

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 25484957) has the molecular formula C26H34N2O2S and a molecular weight of 438.64 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID25484957
Molecular FormulaC26H34N2O2S
Molecular Weight438.64 g/mol
Exact Mass438.23
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1
InChIInChI=1S/C26H34N2O2S/c29-26(14-21-9-13-31-19-21)28(18-25-6-3-12-30-25)17-20-7-10-27(11-8-20)24-15-22-4-1-2-5-23(22)16-24/h1-2,4-5,9,13,19-20,24-25H,3,6-8,10-12,14-18H2/t25-/m1/s1
InChIKeyFDUAKJUGDYLXLR-RUZDIDTESA-N
XLogP4.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.64
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide with MolForge

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 42463207
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 45217413
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 97280347
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97278262
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42595629
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 26329204
2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45240357
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45174104
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(furan-2-yl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42591494
(E)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
CID 45205428
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42245792
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45219116

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide (CID 25484957) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is FDUAKJUGDYLXLR-RUZDIDTESA-N. The full InChI is InChI=1S/C26H34N2O2S/c29-26(14-21-9-13-31-19-21)28(18-25-6-3-12-30-25)17-20-7-10-27(11-8-20)24-15-22-4-1-2-5-23(22)16-24/h1-2,4-5,9,13,19-20,24-25H,3,6-8,10-12,14-18H2/t25-/m1/s1.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 438.64 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 25484957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).