1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone

C25H26N2O2 — CID 95809333

IUPAC1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
SMILESCOc1ccccc1-c1cccc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1
InChIInChI=1S/C25H26N2O2/c1-29-24-15-6-5-12-21(24)23-14-7-13-22(26-23)20-11-8-16-27(18-20)25(28)17-19-9-3-2-4-10-19/h2-7,9-10,12-15,20H,8,11,16-18H2,1H3/t20-/m0/s1
InChIKeyAXPFYJFFYQVUNY-FQEVSTJZSA-N
MW386.50 g/mol
LogP4.71
Rot. Bonds5

About 1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone

1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone (PubChem CID 95809333) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
PubChem CID95809333
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
SMILESCOc1ccccc1-c1cccc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1
InChIInChI=1S/C25H26N2O2/c1-29-24-15-6-5-12-21(24)23-14-7-13-22(26-23)20-11-8-16-27(18-20)25(28)17-19-9-3-2-4-10-19/h2-7,9-10,12-15,20H,8,11,16-18H2,1H3/t20-/m0/s1
InChIKeyAXPFYJFFYQVUNY-FQEVSTJZSA-N
XLogP4.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809810
1-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809337
1-[(3S)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809900
2-(4-fluorophenyl)-1-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249679
1-[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809899
[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 129454027
2-(2-methoxyphenyl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
CID 95808900
[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 129456802
1-[(3S)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95818890
1-[3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one
CID 110255191
1-[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95809371
2-(2-methoxyphenyl)-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249357

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone (CID 95809333) is 1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone is COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1.
What is the InChIKey of 1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is AXPFYJFFYQVUNY-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-29-24-15-6-5-12-21(24)23-14-7-13-22(26-23)20-11-8-16-27(18-20)25(28)17-19-9-3-2-4-10-19/h2-7,9-10,12-15,20H,8,11,16-18H2,1H3/t20-/m0/s1.
What are the key properties of 1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone?
1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 386.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 95809333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).