1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide

C19H26N6O3S2 — CID 55919738

IUPAC1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)NCC(c2cccs2)N2CCOCC2)CC1
InChIInChI=1S/C19H26N6O3S2/c26-17(22-18-23-21-13-30-18)14-3-5-25(6-4-14)19(27)20-12-15(16-2-1-11-29-16)24-7-9-28-10-8-24/h1-2,11,13-15H,3-10,12H2,(H,20,27)(H,22,23,26)
InChIKeyODRAXNAKMAKJFG-UHFFFAOYSA-N
MW450.59 g/mol
LogP2.03
Rot. Bonds6

About 1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide

1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 55919738) has the molecular formula C19H26N6O3S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
PubChem CID55919738
Molecular FormulaC19H26N6O3S2
Molecular Weight450.59 g/mol
Exact Mass450.15
IUPAC Name1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)NCC(c2cccs2)N2CCOCC2)CC1
InChIInChI=1S/C19H26N6O3S2/c26-17(22-18-23-21-13-30-18)14-3-5-25(6-4-14)19(27)20-12-15(16-2-1-11-29-16)24-7-9-28-10-8-24/h1-2,11,13-15H,3-10,12H2,(H,20,27)(H,22,23,26)
InChIKeyODRAXNAKMAKJFG-UHFFFAOYSA-N
XLogP2.03
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrrolidine-1-carboxamide
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CID 93159855
1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 55930277
(3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 30468496
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 119829137
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CID 166202803
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1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 128925831
2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide (CID 55919738) is 1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide is O=C(Nc1nncs1)C1CCN(C(=O)NCC(c2cccs2)N2CCOCC2)CC1.
What is the InChIKey of 1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is ODRAXNAKMAKJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3S2/c26-17(22-18-23-21-13-30-18)14-3-5-25(6-4-14)19(27)20-12-15(16-2-1-11-29-16)24-7-9-28-10-8-24/h1-2,11,13-15H,3-10,12H2,(H,20,27)(H,22,23,26).
What are the key properties of 1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 450.59 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 55919738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).