N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide

C25H25N3O2 — CID 110249286

IUPACN-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc(C3CCCN(C(=O)c4ccccc4)C3)n2)c1
InChIInChI=1S/C25H25N3O2/c1-18(29)26-22-12-5-10-20(16-22)23-13-6-14-24(27-23)21-11-7-15-28(17-21)25(30)19-8-3-2-4-9-19/h2-6,8-10,12-14,16,21H,7,11,15,17H2,1H3,(H,26,29)
InChIKeyJMWJVWOIRKLMII-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.73
Rot. Bonds4

About N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide

N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide (PubChem CID 110249286) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide
PubChem CID110249286
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc(C3CCCN(C(=O)c4ccccc4)C3)n2)c1
InChIInChI=1S/C25H25N3O2/c1-18(29)26-22-12-5-10-20(16-22)23-13-6-14-24(27-23)21-11-7-15-28(17-21)25(30)19-8-3-2-4-9-19/h2-6,8-10,12-14,16,21H,7,11,15,17H2,1H3,(H,26,29)
InChIKeyJMWJVWOIRKLMII-UHFFFAOYSA-N
XLogP4.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808958
(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 110089978
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110089801
N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897609
3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249773
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 124943104
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 110149950
[3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 124966949
3-[6-[(3S)-1-(1-methylpiperidine-4-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 95810732
(2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95810788

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide (CID 110249286) is N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cccc(C3CCCN(C(=O)c4ccccc4)C3)n2)c1.
What is the InChIKey of N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide?
The InChIKey is JMWJVWOIRKLMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18(29)26-22-12-5-10-20(16-22)23-13-6-14-24(27-23)21-11-7-15-28(17-21)25(30)19-8-3-2-4-9-19/h2-6,8-10,12-14,16,21H,7,11,15,17H2,1H3,(H,26,29).
What are the key properties of N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide?
N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide has a molecular weight of 399.49 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 110249286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).