[3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone

C27H30N4O4 — CID 110150409

IUPAC[3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
SMILESCOc1ccc(Oc2cccc(C3CCCN(C(=O)c4ccnc(N5CCOCC5)c4)C3)n2)cc1
InChIInChI=1S/C27H30N4O4/c1-33-22-7-9-23(10-8-22)35-26-6-2-5-24(29-26)21-4-3-13-31(19-21)27(32)20-11-12-28-25(18-20)30-14-16-34-17-15-30/h2,5-12,18,21H,3-4,13-17,19H2,1H3
InChIKeyCKBDQZPBMGNTST-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.13
Rot. Bonds6

About [3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone

[3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone (PubChem CID 110150409) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is [3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
PubChem CID110150409
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name[3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
SMILESCOc1ccc(Oc2cccc(C3CCCN(C(=O)c4ccnc(N5CCOCC5)c4)C3)n2)cc1
InChIInChI=1S/C27H30N4O4/c1-33-22-7-9-23(10-8-22)35-26-6-2-5-24(29-26)21-4-3-13-31(19-21)27(32)20-11-12-28-25(18-20)30-14-16-34-17-15-30/h2,5-12,18,21H,3-4,13-17,19H2,1H3
InChIKeyCKBDQZPBMGNTST-UHFFFAOYSA-N
XLogP4.13
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 110150697
(2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110151084
[(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 125016518
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808958
[(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone
CID 124982819
[(3R)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95867832
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 124943104
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 110149950
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 124968000
1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825262
1-[(3R)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825263
(2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129457217

Frequently Asked Questions

What is the IUPAC name of [3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
The IUPAC name of [3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone (CID 110150409) is [3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone.
What is the SMILES notation for [3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
The canonical SMILES for [3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone is COc1ccc(Oc2cccc(C3CCCN(C(=O)c4ccnc(N5CCOCC5)c4)C3)n2)cc1.
What is the InChIKey of [3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
The InChIKey is CKBDQZPBMGNTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-33-22-7-9-23(10-8-22)35-26-6-2-5-24(29-26)21-4-3-13-31(19-21)27(32)20-11-12-28-25(18-20)30-14-16-34-17-15-30/h2,5-12,18,21H,3-4,13-17,19H2,1H3.
What are the key properties of [3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
[3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone has a molecular weight of 474.56 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone is sourced from PubChem (CID 110150409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).