N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid

C26H38F3N3O5 — CID 122652145

IUPACN-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCCN(CCOC)C(=O)c1ccc(C(=O)N2CCC(N3CCCC(C)C3)CC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H37N3O3.C2HF3O2/c1-4-25(16-17-30-3)23(28)20-7-9-21(10-8-20)24(29)26-14-11-22(12-15-26)27-13-5-6-19(2)18-27;3-2(4,5)1(6)7/h7-10,19,22H,4-6,11-18H2,1-3H3;(H,6,7)
InChIKeyWDYULAOTHLVEQU-UHFFFAOYSA-N
MW529.60 g/mol
LogP3.76
Rot. Bonds7

About N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid

N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid (PubChem CID 122652145) has the molecular formula C26H38F3N3O5 and a molecular weight of 529.60 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid
PubChem CID122652145
Molecular FormulaC26H38F3N3O5
Molecular Weight529.60 g/mol
Exact Mass529.28
IUPAC NameN-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCCN(CCOC)C(=O)c1ccc(C(=O)N2CCC(N3CCCC(C)C3)CC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H37N3O3.C2HF3O2/c1-4-25(16-17-30-3)23(28)20-7-9-21(10-8-20)24(29)26-14-11-22(12-15-26)27-13-5-6-19(2)18-27;3-2(4,5)1(6)7/h7-10,19,22H,4-6,11-18H2,1-3H3;(H,6,7)
InChIKeyWDYULAOTHLVEQU-UHFFFAOYSA-N
XLogP3.76
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.60
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[(2-chloro-4-pyridinyl)methyl]-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid
CID 122652139
N-[(2-chloro-3-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid
CID 122652194
[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;oxalic acid
CID 90483458
N-[2-(3-chlorophenyl)propan-2-yl]-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid
CID 122652154
N-[(2,6-difluorophenyl)methyl]-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide
CID 123562114
(3S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95527920
N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide
CID 118182069
N-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide
CID 118182106
[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
CID 118190444
N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide
CID 118182112
(3-chlorophenyl)-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2911932
(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 97127259

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid (CID 122652145) is N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid is CCN(CCOC)C(=O)c1ccc(C(=O)N2CCC(N3CCCC(C)C3)CC2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is WDYULAOTHLVEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3.C2HF3O2/c1-4-25(16-17-30-3)23(28)20-7-9-21(10-8-20)24(29)26-14-11-22(12-15-26)27-13-5-6-19(2)18-27;3-2(4,5)1(6)7/h7-10,19,22H,4-6,11-18H2,1-3H3;(H,6,7).
What are the key properties of N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid?
N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 529.60 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122652145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).