[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone

C20H24N4O — CID 95583532

IUPAC[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN(c2ccccn2)C1)N1CCC[C@@H]1c1ccncc1
InChIInChI=1S/C20H24N4O/c25-20(24-14-4-6-18(24)16-8-11-21-12-9-16)17-5-3-13-23(15-17)19-7-1-2-10-22-19/h1-2,7-12,17-18H,3-6,13-15H2/t17-,18-/m1/s1
InChIKeyVXLKDOPKEUIUJQ-QZTJIDSGSA-N
MW336.44 g/mol
LogP3.06
Rot. Bonds3

About [(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone

[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 95583532) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is [(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
PubChem CID95583532
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN(c2ccccn2)C1)N1CCC[C@@H]1c1ccncc1
InChIInChI=1S/C20H24N4O/c25-20(24-14-4-6-18(24)16-8-11-21-12-9-16)17-5-3-13-23(15-17)19-7-1-2-10-22-19/h1-2,7-12,17-18H,3-6,13-15H2/t17-,18-/m1/s1
InChIKeyVXLKDOPKEUIUJQ-QZTJIDSGSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95583542
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95337233
(1-pyrazin-2-ylpiperidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819028
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 51595974
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 92606124
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94616580
[(3S)-1-benzylpiperidin-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 98763268
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 98761419
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 125122675
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 37023275

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone (CID 95583532) is [(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone is O=C([C@@H]1CCCN(c2ccccn2)C1)N1CCC[C@@H]1c1ccncc1.
What is the InChIKey of [(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is VXLKDOPKEUIUJQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(24-14-4-6-18(24)16-8-11-21-12-9-16)17-5-3-13-23(15-17)19-7-1-2-10-22-19/h1-2,7-12,17-18H,3-6,13-15H2/t17-,18-/m1/s1.
What are the key properties of [(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone?
[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 95583532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).