[1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone

C23H34N2O5 — CID 55506560

IUPAC[1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESC/C=C/c1ccc(OCC(O)CN2CCCC(C(=O)N3CCOCC3)C2)c(OC)c1
InChIInChI=1S/C23H34N2O5/c1-3-5-18-7-8-21(22(14-18)28-2)30-17-20(26)16-24-9-4-6-19(15-24)23(27)25-10-12-29-13-11-25/h3,5,7-8,14,19-20,26H,4,6,9-13,15-17H2,1-2H3/b5-3+
InChIKeyHADMCTILIVYAJO-HWKANZROSA-N
MW418.53 g/mol
LogP2.04
Rot. Bonds8

About [1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 55506560) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is [1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID55506560
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC Name[1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESC/C=C/c1ccc(OCC(O)CN2CCCC(C(=O)N3CCOCC3)C2)c(OC)c1
InChIInChI=1S/C23H34N2O5/c1-3-5-18-7-8-21(22(14-18)28-2)30-17-20(26)16-24-9-4-6-19(15-24)23(27)25-10-12-29-13-11-25/h3,5,7-8,14,19-20,26H,4,6,9-13,15-17H2,1-2H3/b5-3+
InChIKeyHADMCTILIVYAJO-HWKANZROSA-N
XLogP2.04
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(hydroxymethyl)piperidin-1-yl]-3-(2-methoxy-4-prop-1-enylphenoxy)propan-2-ol;oxalic acid
CID 73243580
[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55506480
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 78834727
1-[4-[2-hydroxy-3-(3-methylpiperidin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 17472543
ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate
CID 55506636
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 55832405
[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55507501
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol;dihydrochloride
CID 45283603
(2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 70159413
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 29395277
(3aR,7aR)-2-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 129420701
3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
CID 20839076

Frequently Asked Questions

What is the IUPAC name of [1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 55506560) is [1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone is C/C=C/c1ccc(OCC(O)CN2CCCC(C(=O)N3CCOCC3)C2)c(OC)c1.
What is the InChIKey of [1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is HADMCTILIVYAJO-HWKANZROSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-3-5-18-7-8-21(22(14-18)28-2)30-17-20(26)16-24-9-4-6-19(15-24)23(27)25-10-12-29-13-11-25/h3,5,7-8,14,19-20,26H,4,6,9-13,15-17H2,1-2H3/b5-3+.
What are the key properties of [1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 418.53 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 55506560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).