[(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone

C20H25N5O — CID 125122675

IUPAC[(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(c2ncccn2)C1)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C20H25N5O/c26-19(17-7-4-12-24(15-17)20-22-10-5-11-23-20)25-13-2-1-8-18(25)16-6-3-9-21-14-16/h3,5-6,9-11,14,17-18H,1-2,4,7-8,12-13,15H2/t17-,18-/m0/s1
InChIKeyNJHDXLOEZOSKDW-ROUUACIJSA-N
MW351.45 g/mol
LogP2.84
Rot. Bonds3

About [(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone

[(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone (PubChem CID 125122675) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is [(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
PubChem CID125122675
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name[(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(c2ncccn2)C1)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C20H25N5O/c26-19(17-7-4-12-24(15-17)20-22-10-5-11-23-20)25-13-2-1-8-18(25)16-6-3-9-21-14-16/h3,5-6,9-11,14,17-18H,1-2,4,7-8,12-13,15H2/t17-,18-/m0/s1
InChIKeyNJHDXLOEZOSKDW-ROUUACIJSA-N
XLogP2.84
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone with MolForge

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Related Compounds

[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94616580
1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 97205497
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 98762961
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 95583532
[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 55575940
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94040955
[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95583542
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
(1-pyrazin-2-ylpiperidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819028

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone?
The IUPAC name of [(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone (CID 125122675) is [(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone.
What is the SMILES notation for [(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone?
The canonical SMILES for [(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone is O=C([C@H]1CCCN(c2ncccn2)C1)N1CCCC[C@H]1c1cccnc1.
What is the InChIKey of [(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone?
The InChIKey is NJHDXLOEZOSKDW-ROUUACIJSA-N. The full InChI is InChI=1S/C20H25N5O/c26-19(17-7-4-12-24(15-17)20-22-10-5-11-23-20)25-13-2-1-8-18(25)16-6-3-9-21-14-16/h3,5-6,9-11,14,17-18H,1-2,4,7-8,12-13,15H2/t17-,18-/m0/s1.
What are the key properties of [(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone?
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-pyridin-3-ylpiperidin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 125122675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).