N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C23H25N3OS — CID 55655382

IUPACN-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C23H25N3OS/c27-22(14-21-17-28-23(25-21)19-10-5-2-6-11-19)24-20-12-7-13-26(16-20)15-18-8-3-1-4-9-18/h1-6,8-11,17,20H,7,12-16H2,(H,24,27)
InChIKeyIENZWOMGWBMRMC-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.13
Rot. Bonds6

About N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 55655382) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID55655382
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C23H25N3OS/c27-22(14-21-17-28-23(25-21)19-10-5-2-6-11-19)24-20-12-7-13-26(16-20)15-18-8-3-1-4-9-18/h1-6,8-11,17,20H,7,12-16H2,(H,24,27)
InChIKeyIENZWOMGWBMRMC-UHFFFAOYSA-N
XLogP4.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 26392211
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 25373999
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18146081
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18291363
N-[(3R,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 97308491
N-[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 100909648

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 55655382) is N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccc2)n1)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is IENZWOMGWBMRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c27-22(14-21-17-28-23(25-21)19-10-5-2-6-11-19)24-20-12-7-13-26(16-20)15-18-8-3-1-4-9-18/h1-6,8-11,17,20H,7,12-16H2,(H,24,27).
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 391.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55655382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).