1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone

C24H25N3O2 — CID 95809810

IUPAC1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESCOc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)n1
InChIInChI=1S/C24H25N3O2/c1-29-23-13-3-2-10-20(23)22-12-6-11-21(26-22)18-8-7-15-27(17-18)24(28)16-19-9-4-5-14-25-19/h2-6,9-14,18H,7-8,15-17H2,1H3/t18-/m1/s1
InChIKeyGKYJLBJRDDNQLU-GOSISDBHSA-N
MW387.48 g/mol
LogP4.10
Rot. Bonds5

About 1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone

1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 95809810) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
PubChem CID95809810
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESCOc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)n1
InChIInChI=1S/C24H25N3O2/c1-29-23-13-3-2-10-20(23)22-12-6-11-21(26-22)18-8-7-15-27(17-18)24(28)16-19-9-4-5-14-25-19/h2-6,9-14,18H,7-8,15-17H2,1H3/t18-/m1/s1
InChIKeyGKYJLBJRDDNQLU-GOSISDBHSA-N
XLogP4.10
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809333
1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809803
[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 129456802
2-(2-methoxyphenyl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
CID 95808900
[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 129453428
1-[(3S)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809900
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 129454027
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
2-(2-methoxyphenyl)-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249357
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 99973517
1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 110261325

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone (CID 95809810) is 1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone is COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)n1.
What is the InChIKey of 1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is GKYJLBJRDDNQLU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-29-23-13-3-2-10-20(23)22-12-6-11-21(26-22)18-8-7-15-27(17-18)24(28)16-19-9-4-5-14-25-19/h2-6,9-14,18H,7-8,15-17H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 387.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 95809810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).