(3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide

C18H20FN3O2 — CID 95274650

IUPAC(3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCc1cc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c2ccc(F)cc2n1
InChIInChI=1S/C18H20FN3O2/c1-10-7-15(14-6-5-13(19)8-16(14)21-10)18(24)22-9-12(17(20)23)4-3-11(22)2/h5-8,11-12H,3-4,9H2,1-2H3,(H2,20,23)/t11-,12+/m0/s1
InChIKeyPGBYZYCTVLHNDX-NWDGAFQWSA-N
MW329.38 g/mol
LogP2.41
Rot. Bonds2

About (3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide

(3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 95274650) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
PubChem CID95274650
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCc1cc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c2ccc(F)cc2n1
InChIInChI=1S/C18H20FN3O2/c1-10-7-15(14-6-5-13(19)8-16(14)21-10)18(24)22-9-12(17(20)23)4-3-11(22)2/h5-8,11-12H,3-4,9H2,1-2H3,(H2,20,23)/t11-,12+/m0/s1
InChIKeyPGBYZYCTVLHNDX-NWDGAFQWSA-N
XLogP2.41
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 95290424
(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
CID 94512731
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564
(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 70738729
(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95161082
(3S)-2-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95044684
(3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95585543
1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 79777604
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 164695238
(3S,6S)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95585455
(7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 96574367
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide (CID 95274650) is (3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide is Cc1cc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c2ccc(F)cc2n1.
What is the InChIKey of (3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is PGBYZYCTVLHNDX-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-10-7-15(14-6-5-13(19)8-16(14)21-10)18(24)22-9-12(17(20)23)4-3-11(22)2/h5-8,11-12H,3-4,9H2,1-2H3,(H2,20,23)/t11-,12+/m0/s1.
What are the key properties of (3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide?
(3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95274650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).