2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C29H29N3OS — CID 990920

IUPAC2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(Nc1ncc(CN2CCC(c3ccccc3)CC2)s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N3OS/c33-28(27(24-12-6-2-7-13-24)25-14-8-3-9-15-25)31-29-30-20-26(34-29)21-32-18-16-23(17-19-32)22-10-4-1-5-11-22/h1-15,20,23,27H,16-19,21H2,(H,30,31,33)
InChIKeyFGEISIBKDLVZKG-UHFFFAOYSA-N
MW467.64 g/mol
LogP6.29
Rot. Bonds7

About 2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 990920) has the molecular formula C29H29N3OS and a molecular weight of 467.64 g/mol. Its IUPAC name is 2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID990920
Molecular FormulaC29H29N3OS
Molecular Weight467.64 g/mol
Exact Mass467.20
IUPAC Name2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(Nc1ncc(CN2CCC(c3ccccc3)CC2)s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N3OS/c33-28(27(24-12-6-2-7-13-24)25-14-8-3-9-15-25)31-29-30-20-26(34-29)21-32-18-16-23(17-19-32)22-10-4-1-5-11-22/h1-15,20,23,27H,16-19,21H2,(H,30,31,33)
InChIKeyFGEISIBKDLVZKG-UHFFFAOYSA-N
XLogP6.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.64
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 990920) is 2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is O=C(Nc1ncc(CN2CCC(c3ccccc3)CC2)s1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FGEISIBKDLVZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3OS/c33-28(27(24-12-6-2-7-13-24)25-14-8-3-9-15-25)31-29-30-20-26(34-29)21-32-18-16-23(17-19-32)22-10-4-1-5-11-22/h1-15,20,23,27H,16-19,21H2,(H,30,31,33).
What are the key properties of 2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 467.64 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 990920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).