[(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone

C22H37NO4 — CID 23958648

IUPAC[(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone
SMILESCCO[C@@H]1OC(C(=O)N2CCCCC2)=C[C@H](C2CCCCC2)[C@@H]1CCCO
InChIInChI=1S/C22H37NO4/c1-2-26-22-18(12-9-15-24)19(17-10-5-3-6-11-17)16-20(27-22)21(25)23-13-7-4-8-14-23/h16-19,22,24H,2-15H2,1H3/t18-,19+,22+/m0/s1
InChIKeyCGEZLQIZDAGTOM-NNMXDRDESA-N
MW379.54 g/mol
LogP3.86
Rot. Bonds7

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

[(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone (PubChem CID 23958648) has the molecular formula C22H37NO4 and a molecular weight of 379.54 g/mol. Its IUPAC name is [(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone
PubChem CID23958648
Molecular FormulaC22H37NO4
Molecular Weight379.54 g/mol
Exact Mass379.27
IUPAC Name[(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone
SMILESCCO[C@@H]1OC(C(=O)N2CCCCC2)=C[C@H](C2CCCCC2)[C@@H]1CCCO
InChIInChI=1S/C22H37NO4/c1-2-26-22-18(12-9-15-24)19(17-10-5-3-6-11-17)16-20(27-22)21(25)23-13-7-4-8-14-23/h16-19,22,24H,2-15H2,1H3/t18-,19+,22+/m0/s1
InChIKeyCGEZLQIZDAGTOM-NNMXDRDESA-N
XLogP3.86
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone (CID 23958648) is [(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone is CCO[C@@H]1OC(C(=O)N2CCCCC2)=C[C@H](C2CCCCC2)[C@@H]1CCCO.
What is the InChIKey of [(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone?
The InChIKey is CGEZLQIZDAGTOM-NNMXDRDESA-N. The full InChI is InChI=1S/C22H37NO4/c1-2-26-22-18(12-9-15-24)19(17-10-5-3-6-11-17)16-20(27-22)21(25)23-13-7-4-8-14-23/h16-19,22,24H,2-15H2,1H3/t18-,19+,22+/m0/s1.
What are the key properties of [(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone?
[(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone has a molecular weight of 379.54 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 23958648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).