4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one

C21H22N4O — CID 136682160

IUPAC4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc([C@H]2CCCCN2Cc2ccccc2)nc(-c2ccncc2)[nH]1
InChIInChI=1S/C21H22N4O/c26-20-14-18(23-21(24-20)17-9-11-22-12-10-17)19-8-4-5-13-25(19)15-16-6-2-1-3-7-16/h1-3,6-7,9-12,14,19H,4-5,8,13,15H2,(H,23,24,26)/t19-/m1/s1
InChIKeyARGQKDOQZUJYHH-LJQANCHMSA-N
MW346.43 g/mol
LogP3.56
Rot. Bonds4

About 4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one

4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 136682160) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID136682160
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc([C@H]2CCCCN2Cc2ccccc2)nc(-c2ccncc2)[nH]1
InChIInChI=1S/C21H22N4O/c26-20-14-18(23-21(24-20)17-9-11-22-12-10-17)19-8-4-5-13-25(19)15-16-6-2-1-3-7-16/h1-3,6-7,9-12,14,19H,4-5,8,13,15H2,(H,23,24,26)/t19-/m1/s1
InChIKeyARGQKDOQZUJYHH-LJQANCHMSA-N
XLogP3.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881746
4-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136860718
4-[(2S)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136860729
4-[1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136881727
4-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136735313
2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one
CID 136881730
4-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136850242
4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682326
4-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-2-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136881742
4-[(3R)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136682114
4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136881696
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 136682160) is 4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one is O=c1cc([C@H]2CCCCN2Cc2ccccc2)nc(-c2ccncc2)[nH]1.
What is the InChIKey of 4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is ARGQKDOQZUJYHH-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22N4O/c26-20-14-18(23-21(24-20)17-9-11-22-12-10-17)19-8-4-5-13-25(19)15-16-6-2-1-3-7-16/h1-3,6-7,9-12,14,19H,4-5,8,13,15H2,(H,23,24,26)/t19-/m1/s1.
What are the key properties of 4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 346.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136682160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).