(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone

C14H21N3O — CID 120819643

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C14H21N3O/c1-10-4-6-16-8-11(10)13(18)17-7-5-12(15)14(2,3)9-17/h4,6,8,12H,5,7,9,15H2,1-3H3
InChIKeyICVKEJKHEXXENP-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.59
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone (PubChem CID 120819643) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
PubChem CID120819643
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C14H21N3O/c1-10-4-6-16-8-11(10)13(18)17-7-5-12(15)14(2,3)9-17/h4,6,8,12H,5,7,9,15H2,1-3H3
InChIKeyICVKEJKHEXXENP-UHFFFAOYSA-N
XLogP1.59
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 120815954
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120813989
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 120816624
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 114267680
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120816623
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 120816830
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 120816495
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120816214
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 120815344
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 120815955

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone (CID 120819643) is (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone is Cc1ccncc1C(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone?
The InChIKey is ICVKEJKHEXXENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-4-6-16-8-11(10)13(18)17-7-5-12(15)14(2,3)9-17/h4,6,8,12H,5,7,9,15H2,1-3H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 120819643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).