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

C24H25N3O — CID 95717428

IUPAC[(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
SMILESCc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C24H25N3O/c1-18-23(22(14-15-25-18)19-9-4-2-5-10-19)24(28)27-16-8-13-21(17-27)26-20-11-6-3-7-12-20/h2-7,9-12,14-15,21,26H,8,13,16-17H2,1H3/t21-/m0/s1
InChIKeyTXXBEUIZQHCRQM-NRFANRHFSA-N
MW371.48 g/mol
LogP4.77
Rot. Bonds4

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

[(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone (PubChem CID 95717428) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is [(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
PubChem CID95717428
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name[(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
SMILESCc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C24H25N3O/c1-18-23(22(14-15-25-18)19-9-4-2-5-10-19)24(28)27-16-8-13-21(17-27)26-20-11-6-3-7-12-20/h2-7,9-12,14-15,21,26H,8,13,16-17H2,1H3/t21-/m0/s1
InChIKeyTXXBEUIZQHCRQM-NRFANRHFSA-N
XLogP4.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-methyl-4-(2-methyl-4-phenylpyridine-3-carbonyl)piperazine-2-carboxylic acid
CID 95216578
[(3aS,5S,6R,7aR)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 56918819
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283
[(3R)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292827
[(3S)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292828
[(3S)-3-anilinopiperidin-1-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 25275368
1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705047
(2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 67178862
6-[(3S)-3-anilinopiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 96543274
(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 45192484
[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 97082738
[(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone
CID 42100234

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone?
The IUPAC name of [(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone (CID 95717428) is [(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone is Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@H](Nc2ccccc2)C1.
What is the InChIKey of [(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone?
The InChIKey is TXXBEUIZQHCRQM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25N3O/c1-18-23(22(14-15-25-18)19-9-4-2-5-10-19)24(28)27-16-8-13-21(17-27)26-20-11-6-3-7-12-20/h2-7,9-12,14-15,21,26H,8,13,16-17H2,1H3/t21-/m0/s1.
What are the key properties of [(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone?
[(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone has a molecular weight of 371.48 g/mol, XLogP of 4.77, 4 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]-(2-methyl-4-phenyl-3-pyridinyl)methanone is sourced from PubChem (CID 95717428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).