[(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone

C22H28N4O — CID 124755369

IUPAC[(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
SMILESO=C([C@H]1CCCCN1Cc1ccccc1)N1CCC(c2ccncn2)CC1
InChIInChI=1S/C22H28N4O/c27-22(25-14-10-19(11-15-25)20-9-12-23-17-24-20)21-8-4-5-13-26(21)16-18-6-2-1-3-7-18/h1-3,6-7,9,12,17,19,21H,4-5,8,10-11,13-16H2/t21-/m1/s1
InChIKeyQFBCBXHYSXXOLB-OAQYLSRUSA-N
MW364.49 g/mol
LogP3.24
Rot. Bonds4

About [(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone

[(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone (PubChem CID 124755369) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is [(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
PubChem CID124755369
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name[(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
SMILESO=C([C@H]1CCCCN1Cc1ccccc1)N1CCC(c2ccncn2)CC1
InChIInChI=1S/C22H28N4O/c27-22(25-14-10-19(11-15-25)20-9-12-23-17-24-20)21-8-4-5-13-26(21)16-18-6-2-1-3-7-18/h1-3,6-7,9,12,17,19,21H,4-5,8,10-11,13-16H2/t21-/m1/s1
InChIKeyQFBCBXHYSXXOLB-OAQYLSRUSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
(1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 91763764
[(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118781643
(1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 70781321
[1-(pyridin-4-ylmethyl)piperidin-2-yl]-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 139013163
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone
CID 119519896
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone;dihydrochloride
CID 119519895
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(2R)-1-benzylpiperidin-2-yl]methanone
CID 124781007
3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 118778975
[(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 72917725

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone (CID 124755369) is [(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone is O=C([C@H]1CCCCN1Cc1ccccc1)N1CCC(c2ccncn2)CC1.
What is the InChIKey of [(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone?
The InChIKey is QFBCBXHYSXXOLB-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(25-14-10-19(11-15-25)20-9-12-23-17-24-20)21-8-4-5-13-26(21)16-18-6-2-1-3-7-18/h1-3,6-7,9,12,17,19,21H,4-5,8,10-11,13-16H2/t21-/m1/s1.
What are the key properties of [(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone?
[(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone has a molecular weight of 364.49 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 124755369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).