(3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide

C19H23N3O2 — CID 95585543

IUPAC(3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)cc2c1
InChIInChI=1S/C19H23N3O2/c1-11-4-7-17-15(8-11)9-16(13(3)21-17)19(24)22-10-14(18(20)23)6-5-12(22)2/h4,7-9,12,14H,5-6,10H2,1-3H3,(H2,20,23)/t12-,14+/m1/s1
InChIKeyPRHNVSVZUDFYGY-OCCSQVGLSA-N
MW325.41 g/mol
LogP2.58
Rot. Bonds2

About (3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide

(3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 95585543) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide
PubChem CID95585543
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)cc2c1
InChIInChI=1S/C19H23N3O2/c1-11-4-7-17-15(8-11)9-16(13(3)21-17)19(24)22-10-14(18(20)23)6-5-12(22)2/h4,7-9,12,14H,5-6,10H2,1-3H3,(H2,20,23)/t12-,14+/m1/s1
InChIKeyPRHNVSVZUDFYGY-OCCSQVGLSA-N
XLogP2.58
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 79777604
(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 95290424
(3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95274650
6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide
CID 107026180
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone
CID 124699298
1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide
CID 71882911
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one
CID 46994284
1-(2,4-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892090
1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892089
(3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide
CID 95151470
(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95161082

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide (CID 95585543) is (3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide is Cc1ccc2nc(C)c(C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)cc2c1.
What is the InChIKey of (3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is PRHNVSVZUDFYGY-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-11-4-7-17-15(8-11)9-16(13(3)21-17)19(24)22-10-14(18(20)23)6-5-12(22)2/h4,7-9,12,14H,5-6,10H2,1-3H3,(H2,20,23)/t12-,14+/m1/s1.
What are the key properties of (3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide?
(3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95585543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).