[3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone

C20H25N3O — CID 24817805

IUPAC[3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCC(C)c1ccc(NC2CCCN(C(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C20H25N3O/c1-15(2)16-7-9-18(10-8-16)22-19-6-4-12-23(14-19)20(24)17-5-3-11-21-13-17/h3,5,7-11,13,15,19,22H,4,6,12,14H2,1-2H3
InChIKeyXCERZLNZNDTLCZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.92
Rot. Bonds4

About [3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone

[3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 24817805) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID24817805
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCC(C)c1ccc(NC2CCCN(C(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C20H25N3O/c1-15(2)16-7-9-18(10-8-16)22-19-6-4-12-23(14-19)20(24)17-5-3-11-21-13-17/h3,5,7-11,13,15,19,22H,4,6,12,14H2,1-2H3
InChIKeyXCERZLNZNDTLCZ-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

methyl 4-[(3R)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]benzoate
CID 25275922
[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 26392166
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
isoquinolin-1-yl-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 42240610
methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 24792970
1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45235641
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 95718612
2-methylsulfanyl-1-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethanone
CID 45190494
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-2-sulfanylethanone
CID 146483126
3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 24817289
(2-amino-1,3-benzothiazol-5-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 42098998
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388

Frequently Asked Questions

What is the IUPAC name of [3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone (CID 24817805) is [3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone is CC(C)c1ccc(NC2CCCN(C(=O)c3cccnc3)C2)cc1.
What is the InChIKey of [3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is XCERZLNZNDTLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(2)16-7-9-18(10-8-16)22-19-6-4-12-23(14-19)20(24)17-5-3-11-21-13-17/h3,5,7-11,13,15,19,22H,4,6,12,14H2,1-2H3.
What are the key properties of [3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone?
[3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 323.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 24817805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).