1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone

C16H22N2O2 — CID 120817657

IUPAC1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C16H22N2O2/c1-11(19)12-4-6-13(7-5-12)15(20)18-9-8-14(17)16(2,3)10-18/h4-7,14H,8-10,17H2,1-3H3
InChIKeyUGCZSYYGPZDYPY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.09
Rot. Bonds2

About 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone

1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone (PubChem CID 120817657) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
PubChem CID120817657
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C16H22N2O2/c1-11(19)12-4-6-13(7-5-12)15(20)18-9-8-14(17)16(2,3)10-18/h4-7,14H,8-10,17H2,1-3H3
InChIKeyUGCZSYYGPZDYPY-UHFFFAOYSA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone 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

1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide
CID 120816522
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 120817158
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 120814562
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120814617
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 120814614
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120820264
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 120819644
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dichlorophenyl)methanone;hydrochloride
CID 120816240

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone (CID 120817657) is 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone is CC(=O)c1ccc(C(=O)N2CCC(N)C(C)(C)C2)cc1.
What is the InChIKey of 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone?
The InChIKey is UGCZSYYGPZDYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(19)12-4-6-13(7-5-12)15(20)18-9-8-14(17)16(2,3)10-18/h4-7,14H,8-10,17H2,1-3H3.
What are the key properties of 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone?
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone has a molecular weight of 274.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone is sourced from PubChem (CID 120817657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).