[2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone

C23H23N3O — CID 102540565

IUPAC[2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCCC1c1cccnc1Nc1ccccc1
InChIInChI=1S/C23H23N3O/c27-23(18-10-3-1-4-11-18)26-17-8-7-15-21(26)20-14-9-16-24-22(20)25-19-12-5-2-6-13-19/h1-6,9-14,16,21H,7-8,15,17H2,(H,24,25)
InChIKeyFDGVEGQQPBTLOJ-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.19
Rot. Bonds4

About [2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone

[2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone (PubChem CID 102540565) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is [2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone
PubChem CID102540565
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name[2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCCC1c1cccnc1Nc1ccccc1
InChIInChI=1S/C23H23N3O/c27-23(18-10-3-1-4-11-18)26-17-8-7-15-21(26)20-14-9-16-24-22(20)25-19-12-5-2-6-13-19/h1-6,9-14,16,21H,7-8,15,17H2,(H,24,25)
InChIKeyFDGVEGQQPBTLOJ-UHFFFAOYSA-N
XLogP5.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone
CID 102541555
benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102540544
phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone
CID 102540070
[2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone
CID 102541984
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102539767
phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone
CID 102539451
phenyl-[(2R)-2-quinolin-6-ylpiperidin-1-yl]methanone
CID 124501089
[2-[6-(cyclopropylamino)-3-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 102540373
1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102540084
[2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone
CID 102542837
[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240145

Frequently Asked Questions

What is the IUPAC name of [2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone (CID 102540565) is [2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCCC1c1cccnc1Nc1ccccc1.
What is the InChIKey of [2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone?
The InChIKey is FDGVEGQQPBTLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-23(18-10-3-1-4-11-18)26-17-8-7-15-21(26)20-14-9-16-24-22(20)25-19-12-5-2-6-13-19/h1-6,9-14,16,21H,7-8,15,17H2,(H,24,25).
What are the key properties of [2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone?
[2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone has a molecular weight of 357.46 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 102540565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).