N-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide

C23H27N3O2S — CID 25298693

IUPACN-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1csc(CN2CCC(C(=O)Nc3cccc(-c4ccco4)c3)CC2)n1
InChIInChI=1S/C23H27N3O2S/c1-16(2)20-15-29-22(25-20)14-26-10-8-17(9-11-26)23(27)24-19-6-3-5-18(13-19)21-7-4-12-28-21/h3-7,12-13,15-17H,8-11,14H2,1-2H3,(H,24,27)
InChIKeyAGMSZBKHHZQYLW-UHFFFAOYSA-N
MW409.56 g/mol
LogP5.38
Rot. Bonds6

About N-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide

N-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 25298693) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID25298693
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC NameN-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1csc(CN2CCC(C(=O)Nc3cccc(-c4ccco4)c3)CC2)n1
InChIInChI=1S/C23H27N3O2S/c1-16(2)20-15-29-22(25-20)14-26-10-8-17(9-11-26)23(27)24-19-6-3-5-18(13-19)21-7-4-12-28-21/h3-7,12-13,15-17H,8-11,14H2,1-2H3,(H,24,27)
InChIKeyAGMSZBKHHZQYLW-UHFFFAOYSA-N
XLogP5.38
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.56
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide (CID 25298693) is N-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide is CC(C)c1csc(CN2CCC(C(=O)Nc3cccc(-c4ccco4)c3)CC2)n1.
What is the InChIKey of N-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is AGMSZBKHHZQYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-16(2)20-15-29-22(25-20)14-26-10-8-17(9-11-26)23(27)24-19-6-3-5-18(13-19)21-7-4-12-28-21/h3-7,12-13,15-17H,8-11,14H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
N-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25298693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).