[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone

C17H18ClN3O — CID 97082738

IUPAC[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)cn1)N1CCC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C17H18ClN3O/c18-13-8-9-16(19-11-13)17(22)21-10-4-7-15(12-21)20-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,20H,4,7,10,12H2/t15-/m0/s1
InChIKeyFVRABOVNSGJCTG-HNNXBMFYSA-N
MW315.80 g/mol
LogP3.45
Rot. Bonds3

About [(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone

[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone (PubChem CID 97082738) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is [(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
PubChem CID97082738
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)cn1)N1CCC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C17H18ClN3O/c18-13-8-9-16(19-11-13)17(22)21-10-4-7-15(12-21)20-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,20H,4,7,10,12H2/t15-/m0/s1
InChIKeyFVRABOVNSGJCTG-HNNXBMFYSA-N
XLogP3.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 45192484
6-[(3S)-3-anilinopiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 96543274
[3-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119594677
methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate
CID 78994553
[(3S)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292828
[(3R)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292827
[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119464950
methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 24792970
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283
[(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone
CID 97260124
1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one
CID 136516150
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone?
The IUPAC name of [(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone (CID 97082738) is [(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone is O=C(c1ccc(Cl)cn1)N1CCC[C@H](Nc2ccccc2)C1.
What is the InChIKey of [(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone?
The InChIKey is FVRABOVNSGJCTG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-13-8-9-16(19-11-13)17(22)21-10-4-7-15(12-21)20-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,20H,4,7,10,12H2/t15-/m0/s1.
What are the key properties of [(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone?
[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone has a molecular weight of 315.80 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone is sourced from PubChem (CID 97082738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).