N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide

C20H25N3O2 — CID 97274873

IUPACN-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide
SMILESCC(=O)N1CCC[C@@H](NC(=O)c2c(C)c(C)nc3ccc(C)cc23)C1
InChIInChI=1S/C20H25N3O2/c1-12-7-8-18-17(10-12)19(13(2)14(3)21-18)20(25)22-16-6-5-9-23(11-16)15(4)24/h7-8,10,16H,5-6,9,11H2,1-4H3,(H,22,25)/t16-/m1/s1
InChIKeyLVLLVKMBLGEPLL-MRXNPFEDSA-N
MW339.44 g/mol
LogP2.90
Rot. Bonds2

About N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide

N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide (PubChem CID 97274873) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide
PubChem CID97274873
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide
SMILESCC(=O)N1CCC[C@@H](NC(=O)c2c(C)c(C)nc3ccc(C)cc23)C1
InChIInChI=1S/C20H25N3O2/c1-12-7-8-18-17(10-12)19(13(2)14(3)21-18)20(25)22-16-6-5-9-23(11-16)15(4)24/h7-8,10,16H,5-6,9,11H2,1-4H3,(H,22,25)/t16-/m1/s1
InChIKeyLVLLVKMBLGEPLL-MRXNPFEDSA-N
XLogP2.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide with MolForge

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Related Compounds

N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide
CID 97277175
morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone
CID 131894267
(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575490
(4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72862430
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
2,3,6-trimethylquinoline-4-carbonyl chloride
CID 146553345
furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 72924231
1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72873941
N-[1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]acetamide
CID 84600217
N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide
CID 99933106
2,3,6-trimethyl-N-[3-(triazol-1-yl)propyl]quinoline-4-carboxamide
CID 72916863
1-[(3S)-1-acetylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 46236114

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide?
The IUPAC name of N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide (CID 97274873) is N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide is CC(=O)N1CCC[C@@H](NC(=O)c2c(C)c(C)nc3ccc(C)cc23)C1.
What is the InChIKey of N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide?
The InChIKey is LVLLVKMBLGEPLL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-12-7-8-18-17(10-12)19(13(2)14(3)21-18)20(25)22-16-6-5-9-23(11-16)15(4)24/h7-8,10,16H,5-6,9,11H2,1-4H3,(H,22,25)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide?
N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 97274873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).