3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

C25H34N4O4 — CID 55836211

IUPAC3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)NCC(c3ccc(C)o3)N3CCOCC3)C2)c1
InChIInChI=1S/C25H34N4O4/c1-18-5-3-7-21(15-18)27-25(31)29-10-4-6-20(17-29)24(30)26-16-22(23-9-8-19(2)33-23)28-11-13-32-14-12-28/h3,5,7-9,15,20,22H,4,6,10-14,16-17H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyCVPQMNSTDJRCOE-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.33
Rot. Bonds6

About 3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 55836211) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID55836211
Molecular FormulaC25H34N4O4
Molecular Weight454.57 g/mol
Exact Mass454.26
IUPAC Name3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)NCC(c3ccc(C)o3)N3CCOCC3)C2)c1
InChIInChI=1S/C25H34N4O4/c1-18-5-3-7-21(15-18)27-25(31)29-10-4-6-20(17-29)24(30)26-16-22(23-9-8-19(2)33-23)28-11-13-32-14-12-28/h3,5,7-9,15,20,22H,4,6,10-14,16-17H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyCVPQMNSTDJRCOE-UHFFFAOYSA-N
XLogP3.33
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
N-[2-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 55649335
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 97196259
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide
CID 55836349
1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30089001
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
(2S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 94180518
1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
(3R)-1-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 94092670
1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
CID 55910670

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (CID 55836211) is 3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)N2CCCC(C(=O)NCC(c3ccc(C)o3)N3CCOCC3)C2)c1.
What is the InChIKey of 3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is CVPQMNSTDJRCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4/c1-18-5-3-7-21(15-18)27-25(31)29-10-4-6-20(17-29)24(30)26-16-22(23-9-8-19(2)33-23)28-11-13-32-14-12-28/h3,5,7-9,15,20,22H,4,6,10-14,16-17H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 454.57 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55836211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).