1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide

C20H26N4O2 — CID 72888668

IUPAC1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1ccc2ncccc2c1CNC(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C20H26N4O2/c1-14-8-9-18-16(7-4-10-21-18)17(14)12-22-19(25)15-6-5-11-24(13-15)20(26)23(2)3/h4,7-10,15H,5-6,11-13H2,1-3H3,(H,22,25)
InChIKeyJCEMKJFFSDLPOO-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.55
Rot. Bonds3

About 1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide

1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 72888668) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide
PubChem CID72888668
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1ccc2ncccc2c1CNC(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C20H26N4O2/c1-14-8-9-18-16(7-4-10-21-18)17(14)12-22-19(25)15-6-5-11-24(13-15)20(26)23(2)3/h4,7-10,15H,5-6,11-13H2,1-3H3,(H,22,25)
InChIKeyJCEMKJFFSDLPOO-UHFFFAOYSA-N
XLogP2.55
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-dimethyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 47028623
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72926271
(3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94249479
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51948290
(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 99939916
3-N-[3-(4-fluorophenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 74249959
3-(hydrazinecarbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 43348977
(3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
CID 97193249
(3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97207686
1-N,1-N-dimethyl-3-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72857111
N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 42783454

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide (CID 72888668) is 1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide is Cc1ccc2ncccc2c1CNC(=O)C1CCCN(C(=O)N(C)C)C1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is JCEMKJFFSDLPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-8-9-18-16(7-4-10-21-18)17(14)12-22-19(25)15-6-5-11-24(13-15)20(26)23(2)3/h4,7-10,15H,5-6,11-13H2,1-3H3,(H,22,25).
What are the key properties of 1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide?
1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 72888668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).