N-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide

C27H48N6O4 — CID 159430639

IUPACN-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
SMILESCN1CCC(N2CCCC(CC(N)=O)C2=O)CC1.CNC(=O)CC1CCCN(C2CCN(C)CC2)C1=O
InChIInChI=1S/C14H25N3O2.C13H23N3O2/c1-15-13(18)10-11-4-3-7-17(14(11)19)12-5-8-16(2)9-6-12;1-15-7-4-11(5-8-15)16-6-2-3-10(13(16)18)9-12(14)17/h11-12H,3-10H2,1-2H3,(H,15,18);10-11H,2-9H2,1H3,(H2,14,17)
InChIKeyLQYCOVKNPTUMGY-UHFFFAOYSA-N
MW520.72 g/mol
LogP0.65
Rot. Bonds6

About N-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide

N-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide (PubChem CID 159430639) has the molecular formula C27H48N6O4 and a molecular weight of 520.72 g/mol. Its IUPAC name is N-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
PubChem CID159430639
Molecular FormulaC27H48N6O4
Molecular Weight520.72 g/mol
Exact Mass520.37
IUPAC NameN-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
SMILESCN1CCC(N2CCCC(CC(N)=O)C2=O)CC1.CNC(=O)CC1CCCN(C2CCN(C)CC2)C1=O
InChIInChI=1S/C14H25N3O2.C13H23N3O2/c1-15-13(18)10-11-4-3-7-17(14(11)19)12-5-8-16(2)9-6-12;1-15-7-4-11(5-8-15)16-6-2-3-10(13(16)18)9-12(14)17/h11-12H,3-10H2,1-2H3,(H,15,18);10-11H,2-9H2,1H3,(H2,14,17)
InChIKeyLQYCOVKNPTUMGY-UHFFFAOYSA-N
XLogP0.65
TPSA119.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.72
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1R,3AS,10AR,10BS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-[2-(1-isopropyl-4-piperidinyl)ethyl]butanamide
CID 110195849
4-[(1R,3AS,10AR,10BS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-[3-(1-piperidinyl)propyl]butanamide
CID 110195856
4-[(1R,3AS,10AR,10BS)-2-Methyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-(1-methyl-4-piperidinyl)butanamide
CID 110195726
4-[(1R,3AS,10AR,10BS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-[2-(1-ethyl-4-piperidinyl)ethyl]butanamide
CID 110195845
N-isopropyl-1'-[(1-methyl-2-piperidinyl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 45235957
N-(3-{[1,4'-Bipiperidin]-1'-YL}propyl)-1-[(4-methylpiperidin-1-YL)sulfonyl]piperidine-3-carboxamide
CID 46276243
N-(3-{[1,4'-Bipiperidin]-1'-YL}propyl)-2-(1-cyclohexanecarbonylpiperidin-4-YL)acetamide
CID 46295239
N-methyl-2-[(3R)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]acetamide
CID 11391137
N-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
CID 20590500
N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 53643995
N-methyl-2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetamide
CID 53724702
3-N,3-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxamide
CID 53844118

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide?
The IUPAC name of N-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide (CID 159430639) is N-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide is CN1CCC(N2CCCC(CC(N)=O)C2=O)CC1.CNC(=O)CC1CCCN(C2CCN(C)CC2)C1=O.
What is the InChIKey of N-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide?
The InChIKey is LQYCOVKNPTUMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.C13H23N3O2/c1-15-13(18)10-11-4-3-7-17(14(11)19)12-5-8-16(2)9-6-12;1-15-7-4-11(5-8-15)16-6-2-3-10(13(16)18)9-12(14)17/h11-12H,3-10H2,1-2H3,(H,15,18);10-11H,2-9H2,1H3,(H2,14,17).
What are the key properties of N-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide?
N-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide has a molecular weight of 520.72 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide is sourced from PubChem (CID 159430639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).