1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

C26H42N4O2 — CID 166198840

IUPAC1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCCN1CCC(N(C)C(=O)c2cccc(C(=O)N(C)C3CCN(CC)CC3C)c2)C(C)C1
InChIInChI=1S/C26H42N4O2/c1-7-29-14-12-23(19(3)17-29)27(5)25(31)21-10-9-11-22(16-21)26(32)28(6)24-13-15-30(8-2)18-20(24)4/h9-11,16,19-20,23-24H,7-8,12-15,17-18H2,1-6H3
InChIKeyRYNZCICEHIZAAF-UHFFFAOYSA-N
MW442.65 g/mol
LogP3.29
Rot. Bonds6

About 1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (PubChem CID 166198840) has the molecular formula C26H42N4O2 and a molecular weight of 442.65 g/mol. Its IUPAC name is 1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
PubChem CID166198840
Molecular FormulaC26H42N4O2
Molecular Weight442.65 g/mol
Exact Mass442.33
IUPAC Name1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCCN1CCC(N(C)C(=O)c2cccc(C(=O)N(C)C3CCN(CC)CC3C)c2)C(C)C1
InChIInChI=1S/C26H42N4O2/c1-7-29-14-12-23(19(3)17-29)27(5)25(31)21-10-9-11-22(16-21)26(32)28(6)24-13-15-30(8-2)18-20(24)4/h9-11,16,19-20,23-24H,7-8,12-15,17-18H2,1-6H3
InChIKeyRYNZCICEHIZAAF-UHFFFAOYSA-N
XLogP3.29
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.65
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166414177
3-[3-[[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]-3-oxopropyl]-N-methylbenzamide
CID 97239927
(3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124683430
1-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-1-methyl-3-(pyridin-4-ylmethyl)urea
CID 97028725
5-tert-butyl-N-[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 129358148
1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea
CID 96542994
N-[(3S,4S)-1-ethyl-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide;hydrochloride
CID 70564910
1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-1-methyl-3-[2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 97099748
N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119893453
3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol
CID 111543942
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
CID 124730164
N-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-piperidin-4-ylpropanamide
CID 125120849

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (CID 166198840) is 1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is CCN1CCC(N(C)C(=O)c2cccc(C(=O)N(C)C3CCN(CC)CC3C)c2)C(C)C1.
What is the InChIKey of 1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is RYNZCICEHIZAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O2/c1-7-29-14-12-23(19(3)17-29)27(5)25(31)21-10-9-11-22(16-21)26(32)28(6)24-13-15-30(8-2)18-20(24)4/h9-11,16,19-20,23-24H,7-8,12-15,17-18H2,1-6H3.
What are the key properties of 1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 442.65 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 166198840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).