[(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone

C20H21N5O — CID 97260124

IUPAC[(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(-n2ccnc2)ccn1)N1CCC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C20H21N5O/c26-20(19-13-18(8-9-22-19)25-12-10-21-15-25)24-11-4-7-17(14-24)23-16-5-2-1-3-6-16/h1-3,5-6,8-10,12-13,15,17,23H,4,7,11,14H2/t17-/m0/s1
InChIKeyYICQSNGXPBAYDV-KRWDZBQOSA-N
MW347.42 g/mol
LogP2.98
Rot. Bonds4

About [(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone

[(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone (PubChem CID 97260124) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone
PubChem CID97260124
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(-n2ccnc2)ccn1)N1CCC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C20H21N5O/c26-20(19-13-18(8-9-22-19)25-12-10-21-15-25)24-11-4-7-17(14-24)23-16-5-2-1-3-6-16/h1-3,5-6,8-10,12-13,15,17,23H,4,7,11,14H2/t17-/m0/s1
InChIKeyYICQSNGXPBAYDV-KRWDZBQOSA-N
XLogP2.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(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
6-[(3S)-3-anilinopiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 96543274
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 97082738
(4-imidazol-1-yl-2-pyridinyl)-morpholin-4-ylmethanone
CID 71801444
[3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone
CID 117073836
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283
[(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 95717428
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
3-(3-anilinopiperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 146084317
(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 45192484

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone?
The IUPAC name of [(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone (CID 97260124) is [(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone is O=C(c1cc(-n2ccnc2)ccn1)N1CCC[C@H](Nc2ccccc2)C1.
What is the InChIKey of [(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone?
The InChIKey is YICQSNGXPBAYDV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(19-13-18(8-9-22-19)25-12-10-21-15-25)24-11-4-7-17(14-24)23-16-5-2-1-3-6-16/h1-3,5-6,8-10,12-13,15,17,23H,4,7,11,14H2/t17-/m0/s1.
What are the key properties of [(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone?
[(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone has a molecular weight of 347.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 97260124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).