4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide

C19H32N4O2S — CID 126775773

IUPAC4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)s1
InChIInChI=1S/C19H32N4O2S/c1-15(2)17-14-20-18(26-17)21-19(24)23-8-5-16(6-9-23)4-3-7-22-10-12-25-13-11-22/h14-16H,3-13H2,1-2H3,(H,20,21,24)
InChIKeyZLVFFOCNGZOZJB-UHFFFAOYSA-N
MW380.56 g/mol
LogP3.62
Rot. Bonds6

About 4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide

4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 126775773) has the molecular formula C19H32N4O2S and a molecular weight of 380.56 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID126775773
Molecular FormulaC19H32N4O2S
Molecular Weight380.56 g/mol
Exact Mass380.22
IUPAC Name4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)s1
InChIInChI=1S/C19H32N4O2S/c1-15(2)17-14-20-18(26-17)21-19(24)23-8-5-16(6-9-23)4-3-7-22-10-12-25-13-11-22/h14-16H,3-13H2,1-2H3,(H,20,21,24)
InChIKeyZLVFFOCNGZOZJB-UHFFFAOYSA-N
XLogP3.62
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 126775773) is 4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide is CC(C)c1cnc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)s1.
What is the InChIKey of 4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is ZLVFFOCNGZOZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2S/c1-15(2)17-14-20-18(26-17)21-19(24)23-8-5-16(6-9-23)4-3-7-22-10-12-25-13-11-22/h14-16H,3-13H2,1-2H3,(H,20,21,24).
What are the key properties of 4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 380.56 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126775773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).