[(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone

C24H29N3O4 — CID 42147776

IUPAC[(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone
SMILESCO[C@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)c4cccnc4)CC3)cc2)C1
InChIInChI=1S/C24H29N3O4/c1-30-22-5-3-13-27(17-22)23(28)18-6-8-20(9-7-18)31-21-10-14-26(15-11-21)24(29)19-4-2-12-25-16-19/h2,4,6-9,12,16,21-22H,3,5,10-11,13-15,17H2,1H3/t22-/m0/s1
InChIKeyFPKQFZBCCDUXIQ-QFIPXVFZSA-N
MW423.51 g/mol
LogP3.02
Rot. Bonds5

About [(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone

[(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone (PubChem CID 42147776) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is [(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone
PubChem CID42147776
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name[(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone
SMILESCO[C@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)c4cccnc4)CC3)cc2)C1
InChIInChI=1S/C24H29N3O4/c1-30-22-5-3-13-27(17-22)23(28)18-6-8-20(9-7-18)31-21-10-14-26(15-11-21)24(29)19-4-2-12-25-16-19/h2,4,6-9,12,16,21-22H,3,5,10-11,13-15,17H2,1H3/t22-/m0/s1
InChIKeyFPKQFZBCCDUXIQ-QFIPXVFZSA-N
XLogP3.02
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone with MolForge

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Related Compounds

N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
CID 126460807
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144
(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258424
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258916
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 95140625
4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
CID 77094306

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone?
The IUPAC name of [(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone (CID 42147776) is [(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone.
What is the SMILES notation for [(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone?
The canonical SMILES for [(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone is CO[C@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)c4cccnc4)CC3)cc2)C1.
What is the InChIKey of [(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone?
The InChIKey is FPKQFZBCCDUXIQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-30-22-5-3-13-27(17-22)23(28)18-6-8-20(9-7-18)31-21-10-14-26(15-11-21)24(29)19-4-2-12-25-16-19/h2,4,6-9,12,16,21-22H,3,5,10-11,13-15,17H2,1H3/t22-/m0/s1.
What are the key properties of [(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone?
[(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone has a molecular weight of 423.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone is sourced from PubChem (CID 42147776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).