[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone

C19H25N3O — CID 124691975

IUPAC[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCC[C@@H]([C@H](C)N)C3)c(C)nc2c1
InChIInChI=1S/C19H25N3O/c1-12-6-7-15-10-17(14(3)21-18(15)9-12)19(23)22-8-4-5-16(11-22)13(2)20/h6-7,9-10,13,16H,4-5,8,11,20H2,1-3H3/t13-,16+/m0/s1
InChIKeyKCIHKEUBWVWZQF-XJKSGUPXSA-N
MW311.43 g/mol
LogP3.05
Rot. Bonds2

About [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone

[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone (PubChem CID 124691975) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone
PubChem CID124691975
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCC[C@@H]([C@H](C)N)C3)c(C)nc2c1
InChIInChI=1S/C19H25N3O/c1-12-6-7-15-10-17(14(3)21-18(15)9-12)19(23)22-8-4-5-16(11-22)13(2)20/h6-7,9-10,13,16H,4-5,8,11,20H2,1-3H3/t13-,16+/m0/s1
InChIKeyKCIHKEUBWVWZQF-XJKSGUPXSA-N
XLogP3.05
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone with MolForge

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Related Compounds

[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone
CID 124688867
[3-(1-aminoethyl)piperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 81112375
[3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119592769
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 119594358
[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119594584
(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575490
[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119595926
[3-(1-aminoethyl)piperidin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 119593321
(2,7-dimethylquinolin-3-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613099
[3-(1-aminoethyl)piperidin-1-yl]-[2-fluoro-4-(4-methylphenyl)phenyl]methanone;hydrochloride
CID 119593064
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 95357618
3-[3-(1-aminoethyl)piperidine-1-carbonyl]chromen-2-one;hydrochloride
CID 119594343

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone?
The IUPAC name of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone (CID 124691975) is [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone.
What is the SMILES notation for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone?
The canonical SMILES for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone is Cc1ccc2cc(C(=O)N3CCC[C@@H]([C@H](C)N)C3)c(C)nc2c1.
What is the InChIKey of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone?
The InChIKey is KCIHKEUBWVWZQF-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H25N3O/c1-12-6-7-15-10-17(14(3)21-18(15)9-12)19(23)22-8-4-5-16(11-22)13(2)20/h6-7,9-10,13,16H,4-5,8,11,20H2,1-3H3/t13-,16+/m0/s1.
What are the key properties of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone?
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone has a molecular weight of 311.43 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone is sourced from PubChem (CID 124691975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).