1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one

C19H26N4O — CID 154750878

IUPAC1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(Nc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C19H26N4O/c1-19(2,3)18(24)22-11-8-16(9-12-22)21-15-4-6-17(7-5-15)23-13-10-20-14-23/h4-7,10,13-14,16,21H,8-9,11-12H2,1-3H3
InChIKeyFWCFDUXEBZFQMA-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.32
Rot. Bonds3

About 1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 154750878) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID154750878
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(Nc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C19H26N4O/c1-19(2,3)18(24)22-11-8-16(9-12-22)21-15-4-6-17(7-5-15)23-13-10-20-14-23/h4-7,10,13-14,16,21H,8-9,11-12H2,1-3H3
InChIKeyFWCFDUXEBZFQMA-UHFFFAOYSA-N
XLogP3.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine
CID 154751921
N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide
CID 37186383
(4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 167941167
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 172893481
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 90493183
4-(3-imidazol-1-ylanilino)cyclohexan-1-ol
CID 106593713
N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215873
N-(4-imidazol-1-ylphenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 72939718
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308
1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea
CID 19778071

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 154750878) is 1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(Nc2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of 1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is FWCFDUXEBZFQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-19(2,3)18(24)22-11-8-16(9-12-22)21-15-4-6-17(7-5-15)23-13-10-20-14-23/h4-7,10,13-14,16,21H,8-9,11-12H2,1-3H3.
What are the key properties of 1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 326.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 154750878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).