2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one

C17H27N3O — CID 77309770

IUPAC2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)15(18)16(21)20-11-9-14(10-12-20)19-13-7-5-4-6-8-13/h4-8,14-15,19H,9-12,18H2,1-3H3
InChIKeyUYBUQINNCCLWOC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.46
Rot. Bonds3

About 2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one

2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 77309770) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID77309770
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)15(18)16(21)20-11-9-14(10-12-20)19-13-7-5-4-6-8-13/h4-8,14-15,19H,9-12,18H2,1-3H3
InChIKeyUYBUQINNCCLWOC-UHFFFAOYSA-N
XLogP2.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-1-[4-(3-methylanilino)piperidin-1-yl]butan-1-one
CID 119892713
(2S)-2-amino-3,3-dimethyl-1-[4-(N-methylanilino)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119900202
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
(2S)-2-amino-1-[4-(2,4-difluoroanilino)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 67538923
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119671897
(2S)-2-amino-1-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
CID 119896976
1-(3-anilinopyrrolidin-1-yl)-2-(4-tert-butylphenyl)ethane-1,2-dione
CID 56502423
1-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 69227173
N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide
CID 61164096
(2S)-2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 86780212
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide
CID 119840188
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one (CID 77309770) is 2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one is CC(C)(C)C(N)C(=O)N1CCC(Nc2ccccc2)CC1.
What is the InChIKey of 2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is UYBUQINNCCLWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,3)15(18)16(21)20-11-9-14(10-12-20)19-13-7-5-4-6-8-13/h4-8,14-15,19H,9-12,18H2,1-3H3.
What are the key properties of 2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one?
2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 289.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 77309770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).