3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride

C18H32Cl2N4OS — CID 119888187

IUPAC3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
SMILESCC(CC(=O)NCCc1csc(N2CCCC2)n1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C18H30N4OS.2ClH/c1-14(15-5-4-7-19-12-15)11-17(23)20-8-6-16-13-24-18(21-16)22-9-2-3-10-22;;/h13-15,19H,2-12H2,1H3,(H,20,23);2*1H
InChIKeyUWVVHPIBDHDABI-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.27
Rot. Bonds7

About 3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride

3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride (PubChem CID 119888187) has the molecular formula C18H32Cl2N4OS and a molecular weight of 423.45 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
PubChem CID119888187
Molecular FormulaC18H32Cl2N4OS
Molecular Weight423.45 g/mol
Exact Mass422.17
IUPAC Name3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
SMILESCC(CC(=O)NCCc1csc(N2CCCC2)n1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C18H30N4OS.2ClH/c1-14(15-5-4-7-19-12-15)11-17(23)20-8-6-16-13-24-18(21-16)22-9-2-3-10-22;;/h13-15,19H,2-12H2,1H3,(H,20,23);2*1H
InChIKeyUWVVHPIBDHDABI-UHFFFAOYSA-N
XLogP3.27
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride?
The IUPAC name of 3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride (CID 119888187) is 3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride?
The canonical SMILES for 3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride is CC(CC(=O)NCCc1csc(N2CCCC2)n1)C1CCCNC1.Cl.Cl.
What is the InChIKey of 3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride?
The InChIKey is UWVVHPIBDHDABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS.2ClH/c1-14(15-5-4-7-19-12-15)11-17(23)20-8-6-16-13-24-18(21-16)22-9-2-3-10-22;;/h13-15,19H,2-12H2,1H3,(H,20,23);2*1H.
What are the key properties of 3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride?
3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride has a molecular weight of 423.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119888187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).