N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide

C14H21N3O2 — CID 113234331

IUPACN-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(=O)c2cccn2C)C1
InChIInChI=1S/C14H21N3O2/c1-15-14(19)11-5-3-8-17(9-11)10-13(18)12-6-4-7-16(12)2/h4,6-7,11H,3,5,8-10H2,1-2H3,(H,15,19)
InChIKeyVUWYOZDXAPMCIW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.67
Rot. Bonds4

About N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide

N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 113234331) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID113234331
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(=O)c2cccn2C)C1
InChIInChI=1S/C14H21N3O2/c1-15-14(19)11-5-3-8-17(9-11)10-13(18)12-6-4-7-16(12)2/h4,6-7,11H,3,5,8-10H2,1-2H3,(H,15,19)
InChIKeyVUWYOZDXAPMCIW-UHFFFAOYSA-N
XLogP0.67
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 103196880
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 103196893
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 51675918
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 129428064
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 63163799
2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 106670312
1-[3-(2-fluorophenyl)-2-oxopropyl]-N-methylpiperidine-3-carboxamide
CID 103196911
1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 61242976
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 43226564
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 136534264

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide (CID 113234331) is N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide is CNC(=O)C1CCCN(CC(=O)c2cccn2C)C1.
What is the InChIKey of N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is VUWYOZDXAPMCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-14(19)11-5-3-8-17(9-11)10-13(18)12-6-4-7-16(12)2/h4,6-7,11H,3,5,8-10H2,1-2H3,(H,15,19).
What are the key properties of N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide?
N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 113234331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).