2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone

C23H28FN3O — CID 95817863

IUPAC2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCC[C@H]1c1cccc(Cc2ccccc2F)n1)N1CCCCC1
InChIInChI=1S/C23H28FN3O/c24-20-10-3-2-8-18(20)16-19-9-6-11-21(25-19)22-12-7-15-27(22)17-23(28)26-13-4-1-5-14-26/h2-3,6,8-11,22H,1,4-5,7,12-17H2/t22-/m0/s1
InChIKeyYFHDRAPLNDOXIA-QFIPXVFZSA-N
MW381.50 g/mol
LogP3.96
Rot. Bonds5

About 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone

2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 95817863) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID95817863
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCC[C@H]1c1cccc(Cc2ccccc2F)n1)N1CCCCC1
InChIInChI=1S/C23H28FN3O/c24-20-10-3-2-8-18(20)16-19-9-6-11-21(25-19)22-12-7-15-27(22)17-23(28)26-13-4-1-5-14-26/h2-3,6,8-11,22H,1,4-5,7,12-17H2/t22-/m0/s1
InChIKeyYFHDRAPLNDOXIA-QFIPXVFZSA-N
XLogP3.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95817937
2-[(2-fluorophenyl)methyl]-6-(1-methylpyrrolidin-2-yl)pyridine
CID 110254376
2-(4-fluorophenyl)-1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110254606
2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809077
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 110249442
3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 110258268
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methoxyethanone
CID 110249542
2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249683
1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone
CID 124990360
N-cyclohexyl-2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95817931
N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95817932
2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
CID 95817930

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone (CID 95817863) is 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCC[C@H]1c1cccc(Cc2ccccc2F)n1)N1CCCCC1.
What is the InChIKey of 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is YFHDRAPLNDOXIA-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H28FN3O/c24-20-10-3-2-8-18(20)16-19-9-6-11-21(25-19)22-12-7-15-27(22)17-23(28)26-13-4-1-5-14-26/h2-3,6,8-11,22H,1,4-5,7,12-17H2/t22-/m0/s1.
What are the key properties of 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 381.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 95817863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).