[(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone

C19H27NO5S — CID 6672230

IUPAC[(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone
SMILESO=C(C1=C[C@H](c2ccsc2)C[C@H](OCCOCCO)O1)N1CCCCC1
InChIInChI=1S/C19H27NO5S/c21-7-8-23-9-10-24-18-13-16(15-4-11-26-14-15)12-17(25-18)19(22)20-5-2-1-3-6-20/h4,11-12,14,16,18,21H,1-3,5-10,13H2/t16-,18+/m0/s1
InChIKeyOQKPOPOLCFVCPO-FUHWJXTLSA-N
MW381.49 g/mol
LogP2.50
Rot. Bonds8

About [(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone

[(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone (PubChem CID 6672230) has the molecular formula C19H27NO5S and a molecular weight of 381.49 g/mol. Its IUPAC name is [(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone
PubChem CID6672230
Molecular FormulaC19H27NO5S
Molecular Weight381.49 g/mol
Exact Mass381.16
IUPAC Name[(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone
SMILESO=C(C1=C[C@H](c2ccsc2)C[C@H](OCCOCCO)O1)N1CCCCC1
InChIInChI=1S/C19H27NO5S/c21-7-8-23-9-10-24-18-13-16(15-4-11-26-14-15)12-17(25-18)19(22)20-5-2-1-3-6-20/h4,11-12,14,16,18,21H,1-3,5-10,13H2/t16-,18+/m0/s1
InChIKeyOQKPOPOLCFVCPO-FUHWJXTLSA-N
XLogP2.50
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]-N-(2-methoxyethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 4649119
(2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 6669613
methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]-6-(4-piperidin-1-ylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyran-4-yl]benzoate
CID 4657625
[(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 6667190
(2S,4S)-2-[2-(2-hydroxyethoxy)ethoxy]-N-(1H-imidazol-2-ylmethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6672156
(2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23975630
N-(2-hydroxyethyl)-4-methoxy-N-[2-[[(2R,4R)-6-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-2-yl]oxy]ethyl]benzenesulfonamide
CID 6668224
3-[1-[(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 6668989
[(2R,4R)-4-(9H-fluoren-1-yl)-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 6668209
[(2S,4S)-4-(4-chlorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone
CID 23818416
[(2S,4S)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 44511242
methyl 4-[6-(azocane-1-carbonyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-4-yl]benzoate
CID 5101174

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone (CID 6672230) is [(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone is O=C(C1=C[C@H](c2ccsc2)C[C@H](OCCOCCO)O1)N1CCCCC1.
What is the InChIKey of [(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone?
The InChIKey is OQKPOPOLCFVCPO-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H27NO5S/c21-7-8-23-9-10-24-18-13-16(15-4-11-26-14-15)12-17(25-18)19(22)20-5-2-1-3-6-20/h4,11-12,14,16,18,21H,1-3,5-10,13H2/t16-,18+/m0/s1.
What are the key properties of [(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone?
[(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone has a molecular weight of 381.49 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-[2-(2-hydroxyethoxy)ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 6672230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).