2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide

C23H31N3O — CID 95809099

IUPAC2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCC(c2cccc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C23H31N3O/c1-3-26(4-2)23(27)18-25-15-13-20(14-16-25)22-12-8-11-21(24-22)17-19-9-6-5-7-10-19/h5-12,20H,3-4,13-18H2,1-2H3
InChIKeyOKWDYNRQGNZQAG-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.72
Rot. Bonds7

About 2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide

2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide (PubChem CID 95809099) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide
PubChem CID95809099
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCC(c2cccc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C23H31N3O/c1-3-26(4-2)23(27)18-25-15-13-20(14-16-25)22-12-8-11-21(24-22)17-19-9-6-5-7-10-19/h5-12,20H,3-4,13-18H2,1-2H3
InChIKeyOKWDYNRQGNZQAG-UHFFFAOYSA-N
XLogP3.72
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95809871
N,N-dimethyl-2-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95809880
N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093773
2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine
CID 95817967
2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine
CID 95809192
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809910
[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571
1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
CID 95809601
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide (CID 95809099) is 2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCC(c2cccc(Cc3ccccc3)n2)CC1.
What is the InChIKey of 2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide?
The InChIKey is OKWDYNRQGNZQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-3-26(4-2)23(27)18-25-15-13-20(14-16-25)22-12-8-11-21(24-22)17-19-9-6-5-7-10-19/h5-12,20H,3-4,13-18H2,1-2H3.
What are the key properties of 2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide?
2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide has a molecular weight of 365.52 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 95809099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).