[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone

C20H25N3O — CID 119518663

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C20H25N3O/c1-14(21)16-10-12-23(13-11-16)20(24)18-8-9-19(22-15(18)2)17-6-4-3-5-7-17/h3-9,14,16H,10-13,21H2,1-2H3
InChIKeyLCMOCCSAXAJYSB-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.26
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone (PubChem CID 119518663) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
PubChem CID119518663
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C20H25N3O/c1-14(21)16-10-12-23(13-11-16)20(24)18-8-9-19(22-15(18)2)17-6-4-3-5-7-17/h3-9,14,16H,10-13,21H2,1-2H3
InChIKeyLCMOCCSAXAJYSB-UHFFFAOYSA-N
XLogP3.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone 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

[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119594584
(4-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883923
[4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119517591
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119379268
(3-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883825
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119519261
[3-(methylamino)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119490331
(2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 55800119
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119516712
[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119519440
[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 98176880

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone (CID 119518663) is [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone is Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC(C(C)N)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone?
The InChIKey is LCMOCCSAXAJYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14(21)16-10-12-23(13-11-16)20(24)18-8-9-19(22-15(18)2)17-6-4-3-5-7-17/h3-9,14,16H,10-13,21H2,1-2H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone has a molecular weight of 323.44 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone is sourced from PubChem (CID 119518663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).