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

C20H25N3O — CID 119594584

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C20H25N3O/c1-14(21)17-9-6-12-23(13-17)20(24)18-10-11-19(22-15(18)2)16-7-4-3-5-8-16/h3-5,7-8,10-11,14,17H,6,9,12-13,21H2,1-2H3
InChIKeyLJUQSCUACDJGQA-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.26
Rot. Bonds3

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

[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone (PubChem CID 119594584) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
PubChem CID119594584
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C20H25N3O/c1-14(21)17-9-6-12-23(13-17)20(24)18-10-11-19(22-15(18)2)16-7-4-3-5-8-16/h3-5,7-8,10-11,14,17H,6,9,12-13,21H2,1-2H3
InChIKeyLJUQSCUACDJGQA-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

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119518663
(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119379268
[3-(methylamino)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119490331
(3-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883825
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 119594358
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119595143
[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119595926
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 124690594
[2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 124938243
[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119594956
(4-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883923
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone
CID 124691975

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone (CID 119594584) is [3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone is Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCC(C(C)N)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone?
The InChIKey is LJUQSCUACDJGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14(21)17-9-6-12-23(13-17)20(24)18-10-11-19(22-15(18)2)16-7-4-3-5-8-16/h3-5,7-8,10-11,14,17H,6,9,12-13,21H2,1-2H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone?
[3-(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 [3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone is sourced from PubChem (CID 119594584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).