1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine

C27H31N3O2 — CID 143758971

IUPAC1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine
SMILESC=C(NCCc1ccc(Oc2ccccc2)cc1)c1ccc(OC2CCN(C)CC2)nc1
InChIInChI=1S/C27H31N3O2/c1-21(23-10-13-27(29-20-23)32-26-15-18-30(2)19-16-26)28-17-14-22-8-11-25(12-9-22)31-24-6-4-3-5-7-24/h3-13,20,26,28H,1,14-19H2,2H3
InChIKeyRGIXZUCPTRDTDE-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.15
Rot. Bonds9

About 1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine

1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine (PubChem CID 143758971) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine.

Molecular Properties

Compound Name1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine
PubChem CID143758971
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine
SMILESC=C(NCCc1ccc(Oc2ccccc2)cc1)c1ccc(OC2CCN(C)CC2)nc1
InChIInChI=1S/C27H31N3O2/c1-21(23-10-13-27(29-20-23)32-26-15-18-30(2)19-16-26)28-17-14-22-8-11-25(12-9-22)31-24-6-4-3-5-7-24/h3-13,20,26,28H,1,14-19H2,2H3
InChIKeyRGIXZUCPTRDTDE-UHFFFAOYSA-N
XLogP5.15
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 164630557
CID 123670309
CID 123670309
ethyl 4-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate
CID 167599810
4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide
CID 25461365
6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 100731217
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
CID 72840637
N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 26328291
N'-methyl-4-phenoxy-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1-carboximidamide
CID 109425836
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide
CID 126657315
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 26320229
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine?
The IUPAC name of 1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine (CID 143758971) is 1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine.
What is the SMILES notation for 1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine?
The canonical SMILES for 1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine is C=C(NCCc1ccc(Oc2ccccc2)cc1)c1ccc(OC2CCN(C)CC2)nc1.
What is the InChIKey of 1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine?
The InChIKey is RGIXZUCPTRDTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-21(23-10-13-27(29-20-23)32-26-15-18-30(2)19-16-26)28-17-14-22-8-11-25(12-9-22)31-24-6-4-3-5-7-24/h3-13,20,26,28H,1,14-19H2,2H3.
What are the key properties of 1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine?
1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine has a molecular weight of 429.56 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-N-[2-(4-phenoxyphenyl)ethyl]ethenamine is sourced from PubChem (CID 143758971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).