morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone

C23H27N3O4 — CID 53150425

IUPACmorpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
SMILESO=C(c1ccc(OCC2CCN(C(=O)c3ccncc3)CC2)cc1)N1CCOCC1
InChIInChI=1S/C23H27N3O4/c27-22(26-13-15-29-16-14-26)19-1-3-21(4-2-19)30-17-18-7-11-25(12-8-18)23(28)20-5-9-24-10-6-20/h1-6,9-10,18H,7-8,11-17H2
InChIKeyQKNWMLGYOBRTEU-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.49
Rot. Bonds5

About morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone

morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone (PubChem CID 53150425) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
PubChem CID53150425
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Namemorpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
SMILESO=C(c1ccc(OCC2CCN(C(=O)c3ccncc3)CC2)cc1)N1CCOCC1
InChIInChI=1S/C23H27N3O4/c27-22(26-13-15-29-16-14-26)19-1-3-21(4-2-19)30-17-18-7-11-25(12-8-18)23(28)20-5-9-24-10-6-20/h1-6,9-10,18H,7-8,11-17H2
InChIKeyQKNWMLGYOBRTEU-UHFFFAOYSA-N
XLogP2.49
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
3-methyl-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
CID 53150429
1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-phenoxyethanone
CID 53150450
[4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150447
[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150445
2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150427
1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 95097768
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325
cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 53150344
[4-[[1-(3,5-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150155

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone (CID 53150425) is morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone is O=C(c1ccc(OCC2CCN(C(=O)c3ccncc3)CC2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone?
The InChIKey is QKNWMLGYOBRTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c27-22(26-13-15-29-16-14-26)19-1-3-21(4-2-19)30-17-18-7-11-25(12-8-18)23(28)20-5-9-24-10-6-20/h1-6,9-10,18H,7-8,11-17H2.
What are the key properties of morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone?
morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone has a molecular weight of 409.49 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 53150425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).