3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one

C26H29N3O2 — CID 110264100

IUPAC3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCCC(c2ccc(Cc3ccccc3)cn2)C1
InChIInChI=1S/C26H29N3O2/c1-18-14-19(2)28(3)25(30)24(18)26(31)29-13-7-10-22(17-29)23-12-11-21(16-27-23)15-20-8-5-4-6-9-20/h4-6,8-9,11-12,14,16,22H,7,10,13,15,17H2,1-3H3
InChIKeyPJYLYMXSYGURQK-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.01
Rot. Bonds4

About 3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one

3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one (PubChem CID 110264100) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
PubChem CID110264100
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCCC(c2ccc(Cc3ccccc3)cn2)C1
InChIInChI=1S/C26H29N3O2/c1-18-14-19(2)28(3)25(30)24(18)26(31)29-13-7-10-22(17-29)23-12-11-21(16-27-23)15-20-8-5-4-6-9-20/h4-6,8-9,11-12,14,16,22H,7,10,13,15,17H2,1-3H3
InChIKeyPJYLYMXSYGURQK-UHFFFAOYSA-N
XLogP4.01
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one
CID 92602615
[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110264021
3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3S)-3-(5-benzyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 92616543
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615597
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615594
(1,3-dimethylpyrazol-4-yl)-[3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264048
3-[[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 56890617
1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 129458828
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92616522
5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine
CID 125027075
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(3S)-3-[5-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92616532

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The IUPAC name of 3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one (CID 110264100) is 3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The canonical SMILES for 3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one is Cc1cc(C)n(C)c(=O)c1C(=O)N1CCCC(c2ccc(Cc3ccccc3)cn2)C1.
What is the InChIKey of 3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The InChIKey is PJYLYMXSYGURQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-18-14-19(2)28(3)25(30)24(18)26(31)29-13-7-10-22(17-29)23-12-11-21(16-27-23)15-20-8-5-4-6-9-20/h4-6,8-9,11-12,14,16,22H,7,10,13,15,17H2,1-3H3.
What are the key properties of 3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one has a molecular weight of 415.54 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one is sourced from PubChem (CID 110264100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).