[(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone

C21H27N3O — CID 129026189

IUPAC[(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone
SMILESCc1ccc(-c2cccc(C)n2)c(C(=O)N2CCC[C@@H](C)C2CN)c1
InChIInChI=1S/C21H27N3O/c1-14-9-10-17(19-8-4-7-16(3)23-19)18(12-14)21(25)24-11-5-6-15(2)20(24)13-22/h4,7-10,12,15,20H,5-6,11,13,22H2,1-3H3/t15-,20?/m1/s1
InChIKeyFARAGBNQRRAOJC-IWPPFLRJSA-N
MW337.47 g/mol
LogP3.56
Rot. Bonds3

About [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone

[(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone (PubChem CID 129026189) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone
PubChem CID129026189
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name[(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone
SMILESCc1ccc(-c2cccc(C)n2)c(C(=O)N2CCC[C@@H](C)C2CN)c1
InChIInChI=1S/C21H27N3O/c1-14-9-10-17(19-8-4-7-16(3)23-19)18(12-14)21(25)24-11-5-6-15(2)20(24)13-22/h4,7-10,12,15,20H,5-6,11,13,22H2,1-3H3/t15-,20?/m1/s1
InChIKeyFARAGBNQRRAOJC-IWPPFLRJSA-N
XLogP3.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone with MolForge

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Related Compounds

[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025985
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone
CID 124690231
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone
CID 65462245
[2-(aminomethyl)-3-methylpiperidin-1-yl]-naphthalen-1-ylmethanone;hydrochloride
CID 119597118
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 102783538
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-bromophenyl)methanone
CID 95357666
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone
CID 124690233
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 124690789
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-chloro-3-fluorophenyl)methanone
CID 124603271
3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one
CID 124592587
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 95357635
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 95357640

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone?
The IUPAC name of [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone (CID 129026189) is [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone.
What is the SMILES notation for [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone?
The canonical SMILES for [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone is Cc1ccc(-c2cccc(C)n2)c(C(=O)N2CCC[C@@H](C)C2CN)c1.
What is the InChIKey of [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone?
The InChIKey is FARAGBNQRRAOJC-IWPPFLRJSA-N. The full InChI is InChI=1S/C21H27N3O/c1-14-9-10-17(19-8-4-7-16(3)23-19)18(12-14)21(25)24-11-5-6-15(2)20(24)13-22/h4,7-10,12,15,20H,5-6,11,13,22H2,1-3H3/t15-,20?/m1/s1.
What are the key properties of [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone?
[(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone has a molecular weight of 337.47 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone is sourced from PubChem (CID 129026189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).