1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide

C17H27N5O3S — CID 55911780

IUPAC1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESCC(CN1CCOCC1)NC(=O)N1CCCC(C(=O)Nc2nccs2)C1
InChIInChI=1S/C17H27N5O3S/c1-13(11-21-6-8-25-9-7-21)19-17(24)22-5-2-3-14(12-22)15(23)20-16-18-4-10-26-16/h4,10,13-14H,2-3,5-9,11-12H2,1H3,(H,19,24)(H,18,20,23)
InChIKeyDUSCWXJOCVIMNU-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.22
Rot. Bonds5

About 1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide

1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (PubChem CID 55911780) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
PubChem CID55911780
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC Name1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESCC(CN1CCOCC1)NC(=O)N1CCCC(C(=O)Nc2nccs2)C1
InChIInChI=1S/C17H27N5O3S/c1-13(11-21-6-8-25-9-7-21)19-17(24)22-5-2-3-14(12-22)15(23)20-16-18-4-10-26-16/h4,10,13-14H,2-3,5-9,11-12H2,1H3,(H,19,24)(H,18,20,23)
InChIKeyDUSCWXJOCVIMNU-UHFFFAOYSA-N
XLogP1.22
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (CID 55911780) is 1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is CC(CN1CCOCC1)NC(=O)N1CCCC(C(=O)Nc2nccs2)C1.
What is the InChIKey of 1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The InChIKey is DUSCWXJOCVIMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3S/c1-13(11-21-6-8-25-9-7-21)19-17(24)22-5-2-3-14(12-22)15(23)20-16-18-4-10-26-16/h4,10,13-14H,2-3,5-9,11-12H2,1H3,(H,19,24)(H,18,20,23).
What are the key properties of 1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide has a molecular weight of 381.50 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-morpholin-4-ylpropan-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55911780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).