[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone

C22H26N2O — CID 95818235

IUPAC[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1
InChIInChI=1S/C22H26N2O/c25-22(18-10-4-5-11-18)24-15-7-14-21(24)20-13-6-12-19(23-20)16-17-8-2-1-3-9-17/h1-3,6,8-9,12-13,18,21H,4-5,7,10-11,14-16H2/t21-/m1/s1
InChIKeyCLAJVGIYTZFUAO-OAQYLSRUSA-N
MW334.46 g/mol
LogP4.53
Rot. Bonds4

About [(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone

[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone (PubChem CID 95818235) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is [(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
PubChem CID95818235
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1
InChIInChI=1S/C22H26N2O/c25-22(18-10-4-5-11-18)24-15-7-14-21(24)20-13-6-12-19(23-20)16-17-8-2-1-3-9-17/h1-3,6,8-9,12-13,18,21H,4-5,7,10-11,14-16H2/t21-/m1/s1
InChIKeyCLAJVGIYTZFUAO-OAQYLSRUSA-N
XLogP4.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95818236
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110254706
[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
1-[4-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110254684
2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
CID 95817930
[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 110254415
[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110254532
[4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone
CID 110150708
2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817945

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone (CID 95818235) is [(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1.
What is the InChIKey of [(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone?
The InChIKey is CLAJVGIYTZFUAO-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22(18-10-4-5-11-18)24-15-7-14-21(24)20-13-6-12-19(23-20)16-17-8-2-1-3-9-17/h1-3,6,8-9,12-13,18,21H,4-5,7,10-11,14-16H2/t21-/m1/s1.
What are the key properties of [(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone?
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone has a molecular weight of 334.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 95818235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).