1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one

C22H25ClN2O2 — CID 56759520

IUPAC1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3)nc2)C1
InChIInChI=1S/C22H25ClN2O2/c1-15(2)11-21(26)18-6-4-10-25(14-18)22(27)17-8-9-20(24-13-17)16-5-3-7-19(23)12-16/h3,5,7-9,12-13,15,18H,4,6,10-11,14H2,1-2H3
InChIKeyWWGYQBMZFNPGSB-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.87
Rot. Bonds5

About 1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one

1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one (PubChem CID 56759520) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
PubChem CID56759520
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3)nc2)C1
InChIInChI=1S/C22H25ClN2O2/c1-15(2)11-21(26)18-6-4-10-25(14-18)22(27)17-8-9-20(24-13-17)16-5-3-7-19(23)12-16/h3,5,7-9,12-13,15,18H,4,6,10-11,14H2,1-2H3
InChIKeyWWGYQBMZFNPGSB-UHFFFAOYSA-N
XLogP4.87
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95486329
1-[(3R)-1-[6-(1,3-benzodioxol-5-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95219285
1-[(3S)-1-[6-(1H-indol-6-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95228280
1-[(3R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 136713648
1-[1-[6-(2-fluorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56738190
3-methyl-1-[(3S)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-3-yl]butan-1-one
CID 95194229
1-[1-[6-[2-(hydroxymethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56751009
1-[(3S)-1-[6-(4-hydroxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95211661
1-[1-[6-(1-benzofuran-2-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56741654
3-methyl-1-[(3S)-1-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 95206981
1-[(3R)-1-[6-(2-hydroxyethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95208350
1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95215289

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one (CID 56759520) is 1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one is CC(C)CC(=O)C1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3)nc2)C1.
What is the InChIKey of 1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The InChIKey is WWGYQBMZFNPGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-15(2)11-21(26)18-6-4-10-25(14-18)22(27)17-8-9-20(24-13-17)16-5-3-7-19(23)12-16/h3,5,7-9,12-13,15,18H,4,6,10-11,14H2,1-2H3.
What are the key properties of 1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one has a molecular weight of 384.91 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(3-chlorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one is sourced from PubChem (CID 56759520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).