N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C20H24ClN3OS — CID 44522205

IUPACN-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)c1cscn1
InChIInChI=1S/C20H24ClN3OS/c21-16-4-2-15(3-5-16)20(8-1-9-20)13-24-10-6-17(7-11-24)23-19(25)18-12-26-14-22-18/h2-5,12,14,17H,1,6-11,13H2,(H,23,25)
InChIKeyQFVGLZNERSGVFW-UHFFFAOYSA-N
MW389.95 g/mol
LogP4.11
Rot. Bonds5

About N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 44522205) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID44522205
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC NameN-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)c1cscn1
InChIInChI=1S/C20H24ClN3OS/c21-16-4-2-15(3-5-16)20(8-1-9-20)13-24-10-6-17(7-11-24)23-19(25)18-12-26-14-22-18/h2-5,12,14,17H,1,6-11,13H2,(H,23,25)
InChIKeyQFVGLZNERSGVFW-UHFFFAOYSA-N
XLogP4.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 44522205) is N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)c1cscn1.
What is the InChIKey of N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is QFVGLZNERSGVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3OS/c21-16-4-2-15(3-5-16)20(8-1-9-20)13-24-10-6-17(7-11-24)23-19(25)18-12-26-14-22-18/h2-5,12,14,17H,1,6-11,13H2,(H,23,25).
What are the key properties of N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 389.95 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44522205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).