[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone

C28H33N5O — CID 110149919

IUPAC[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C28H33N5O/c1-21-19-26(31-28(29-21)33-15-6-3-7-16-33)27(34)32-17-13-23(14-18-32)25-12-8-11-24(30-25)20-22-9-4-2-5-10-22/h2,4-5,8-12,19,23H,3,6-7,13-18,20H2,1H3
InChIKeyXMKARVAGQNXDEU-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.78
Rot. Bonds5

About [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone

[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 110149919) has the molecular formula C28H33N5O and a molecular weight of 455.61 g/mol. Its IUPAC name is [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
PubChem CID110149919
Molecular FormulaC28H33N5O
Molecular Weight455.61 g/mol
Exact Mass455.27
IUPAC Name[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C28H33N5O/c1-21-19-26(31-28(29-21)33-15-6-3-7-16-33)27(34)32-17-13-23(14-18-32)25-12-8-11-24(30-25)20-22-9-4-2-5-10-22/h2,4-5,8-12,19,23H,3,6-7,13-18,20H2,1H3
InChIKeyXMKARVAGQNXDEU-UHFFFAOYSA-N
XLogP4.78
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone with MolForge

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Related Compounds

[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331556
[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 92613530
[4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95810807
[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 129453675
[4-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95810808
[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322434
azepan-1-yl-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109332175
[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322306
(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109321596
N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide
CID 110150048
[4-[4-(6-benzyl-2-pyridinyl)piperidine-1-carbonyl]-4-methylpiperidin-1-yl]-cyclopentylmethanone
CID 110150708
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809910

Frequently Asked Questions

What is the IUPAC name of [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone (CID 110149919) is [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone is Cc1cc(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)nc(N2CCCCC2)n1.
What is the InChIKey of [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is XMKARVAGQNXDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O/c1-21-19-26(31-28(29-21)33-15-6-3-7-16-33)27(34)32-17-13-23(14-18-32)25-12-8-11-24(30-25)20-22-9-4-2-5-10-22/h2,4-5,8-12,19,23H,3,6-7,13-18,20H2,1H3.
What are the key properties of [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 455.61 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 110149919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).