(3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine

C26H37N3O3 — CID 130344650

IUPAC(3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine
SMILESCOc1cccc(C2CCCCN2c2cc(N3CCOC[C@H]3C)cc(OC(C)(C)C)n2)c1
InChIInChI=1S/C26H37N3O3/c1-19-18-31-14-13-28(19)21-16-24(27-25(17-21)32-26(2,3)4)29-12-7-6-11-23(29)20-9-8-10-22(15-20)30-5/h8-10,15-17,19,23H,6-7,11-14,18H2,1-5H3/t19-,23?/m1/s1
InChIKeyVPGYTUTUDOOODM-HWYAHNCWSA-N
MW439.60 g/mol
LogP5.22
Rot. Bonds5

About (3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine

(3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine (PubChem CID 130344650) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is (3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine
PubChem CID130344650
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name(3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine
SMILESCOc1cccc(C2CCCCN2c2cc(N3CCOC[C@H]3C)cc(OC(C)(C)C)n2)c1
InChIInChI=1S/C26H37N3O3/c1-19-18-31-14-13-28(19)21-16-24(27-25(17-21)32-26(2,3)4)29-12-7-6-11-23(29)20-9-8-10-22(15-20)30-5/h8-10,15-17,19,23H,6-7,11-14,18H2,1-5H3/t19-,23?/m1/s1
InChIKeyVPGYTUTUDOOODM-HWYAHNCWSA-N
XLogP5.22
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine
CID 153091647
(3R)-4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine
CID 130344741
(3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine
CID 130344690
N,N-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]pyrrolidine-2-carboxamide
CID 130344698
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]quinoline
CID 133331422
[2-(3-methoxyphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 56898380
6-[2-(3-cyclopropylphenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
CID 130344691
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyridin-2-one
CID 130344659
2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole
CID 125138384
6-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-(3-methylmorpholin-4-yl)-1H-pyridin-2-one
CID 130359961
[2-(3-methoxyphenyl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131949336
3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133333569

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine (CID 130344650) is (3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine is COc1cccc(C2CCCCN2c2cc(N3CCOC[C@H]3C)cc(OC(C)(C)C)n2)c1.
What is the InChIKey of (3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine?
The InChIKey is VPGYTUTUDOOODM-HWYAHNCWSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-19-18-31-14-13-28(19)21-16-24(27-25(17-21)32-26(2,3)4)29-12-7-6-11-23(29)20-9-8-10-22(15-20)30-5/h8-10,15-17,19,23H,6-7,11-14,18H2,1-5H3/t19-,23?/m1/s1.
What are the key properties of (3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine?
(3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine has a molecular weight of 439.60 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-6-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-3-methylmorpholine is sourced from PubChem (CID 130344650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).