(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

C22H27N3O3 — CID 131927908

IUPAC(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1N1CCOCC1)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C22H27N3O3/c26-22(20-5-1-2-6-21(20)24-12-14-27-15-13-24)25-10-7-19(8-11-25)28-17-18-4-3-9-23-16-18/h1-6,9,16,19H,7-8,10-15,17H2
InChIKeyIVOUDICSIPATRU-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.74
Rot. Bonds5

About (2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 131927908) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
PubChem CID131927908
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1N1CCOCC1)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C22H27N3O3/c26-22(20-5-1-2-6-21(20)24-12-14-27-15-13-24)25-10-7-19(8-11-25)28-17-18-4-3-9-23-16-18/h1-6,9,16,19H,7-8,10-15,17H2
InChIKeyIVOUDICSIPATRU-UHFFFAOYSA-N
XLogP2.74
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-morpholin-4-ylphenyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131916218
[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 96582328
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 90649817
(5-phenyl-1,2-oxazol-3-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70742097
2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70763307
(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70738411
3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70773170
3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
CID 72908403
(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 91777381
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 72859374
1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 70761084

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of (2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (CID 131927908) is (2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is O=C(c1ccccc1N1CCOCC1)N1CCC(OCc2cccnc2)CC1.
What is the InChIKey of (2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is IVOUDICSIPATRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-22(20-5-1-2-6-21(20)24-12-14-27-15-13-24)25-10-7-19(8-11-25)28-17-18-4-3-9-23-16-18/h1-6,9,16,19H,7-8,10-15,17H2.
What are the key properties of (2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 131927908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).