(4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone

C19H23N3O — CID 120818980

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone
SMILESCC1(C)CN(C(=O)c2cncc(-c3ccccc3)c2)CCC1N
InChIInChI=1S/C19H23N3O/c1-19(2)13-22(9-8-17(19)20)18(23)16-10-15(11-21-12-16)14-6-4-3-5-7-14/h3-7,10-12,17H,8-9,13,20H2,1-2H3
InChIKeyIEYNKMSDSXYANU-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.95
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone (PubChem CID 120818980) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone
PubChem CID120818980
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone
SMILESCC1(C)CN(C(=O)c2cncc(-c3ccccc3)c2)CCC1N
InChIInChI=1S/C19H23N3O/c1-19(2)13-22(9-8-17(19)20)18(23)16-10-15(11-21-12-16)14-6-4-3-5-7-14/h3-7,10-12,17H,8-9,13,20H2,1-2H3
InChIKeyIEYNKMSDSXYANU-UHFFFAOYSA-N
XLogP2.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone
CID 120818883
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
[4-(methylamino)piperidin-1-yl]-(5-phenyl-3-pyridinyl)methanone
CID 119561943
N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide
CID 71920561
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 120819044
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 120813991
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
(4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone
CID 46032979
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-iodophenyl)methanone;hydrochloride
CID 120819588
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120814617
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone (CID 120818980) is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone is CC1(C)CN(C(=O)c2cncc(-c3ccccc3)c2)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone?
The InChIKey is IEYNKMSDSXYANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-19(2)13-22(9-8-17(19)20)18(23)16-10-15(11-21-12-16)14-6-4-3-5-7-14/h3-7,10-12,17H,8-9,13,20H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone has a molecular weight of 309.41 g/mol, XLogP of 2.95, 2 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)-(5-phenyl-3-pyridinyl)methanone is sourced from PubChem (CID 120818980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).