[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone

C20H25N3O — CID 124691673

IUPAC[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone
SMILESCc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@H](N)C[C@H]3C)c2c1
InChIInChI=1S/C20H25N3O/c1-12-3-6-18-16(9-12)17(11-19(22-18)14-4-5-14)20(24)23-8-7-15(21)10-13(23)2/h3,6,9,11,13-15H,4-5,7-8,10,21H2,1-2H3/t13-,15+/m1/s1
InChIKeyZUYSMXNBROHSBM-HIFRSBDPSA-N
MW323.44 g/mol
LogP3.37
Rot. Bonds2

About [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone

[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone (PubChem CID 124691673) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone
PubChem CID124691673
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone
SMILESCc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@H](N)C[C@H]3C)c2c1
InChIInChI=1S/C20H25N3O/c1-12-3-6-18-16(9-12)17(11-19(22-18)14-4-5-14)20(24)23-8-7-15(21)10-13(23)2/h3,6,9,11,13-15H,4-5,7-8,10,21H2,1-2H3/t13-,15+/m1/s1
InChIKeyZUYSMXNBROHSBM-HIFRSBDPSA-N
XLogP3.37
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone with MolForge

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Related Compounds

1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119356858
(2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 120537401
2-[4-(2-cyclopropyl-6-methylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520610
(2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
CID 167793016
2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid
CID 120519214
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
(6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120572778
N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119408408
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 124576206
2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid
CID 120521154
3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid
CID 119347942
(2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 56701446

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone?
The IUPAC name of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone (CID 124691673) is [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone.
What is the SMILES notation for [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone?
The canonical SMILES for [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone is Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@H](N)C[C@H]3C)c2c1.
What is the InChIKey of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone?
The InChIKey is ZUYSMXNBROHSBM-HIFRSBDPSA-N. The full InChI is InChI=1S/C20H25N3O/c1-12-3-6-18-16(9-12)17(11-19(22-18)14-4-5-14)20(24)23-8-7-15(21)10-13(23)2/h3,6,9,11,13-15H,4-5,7-8,10,21H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone?
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2-cyclopropyl-6-methylquinolin-4-yl)methanone is sourced from PubChem (CID 124691673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).