N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide

C21H27N3O2S — CID 71841963

IUPACN-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1csc(C2CCN(C(=O)CCc3ccccc3)CC2)n1
InChIInChI=1S/C21H27N3O2S/c1-16(25)22-12-9-19-15-27-21(23-19)18-10-13-24(14-11-18)20(26)8-7-17-5-3-2-4-6-17/h2-6,15,18H,7-14H2,1H3,(H,22,25)
InChIKeyDYVDHOXPGNUWJH-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.16
Rot. Bonds7

About N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide

N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 71841963) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID71841963
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1csc(C2CCN(C(=O)CCc3ccccc3)CC2)n1
InChIInChI=1S/C21H27N3O2S/c1-16(25)22-12-9-19-15-27-21(23-19)18-10-13-24(14-11-18)20(26)8-7-17-5-3-2-4-6-17/h2-6,15,18H,7-14H2,1H3,(H,22,25)
InChIKeyDYVDHOXPGNUWJH-UHFFFAOYSA-N
XLogP3.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide
CID 53149528
1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
CID 67156872
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-cyclohexylpiperidine-1-carboxamide
CID 53149526
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
CID 71841879
N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 71841986
N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 71931180
N-[2-[2-(1-benzoylpiperidin-4-yl)-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 53149524
N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097272
N-[2-[2-[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097266
N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841884
4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 71841858
N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 71841902

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide (CID 71841963) is N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide is CC(=O)NCCc1csc(C2CCN(C(=O)CCc3ccccc3)CC2)n1.
What is the InChIKey of N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is DYVDHOXPGNUWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-16(25)22-12-9-19-15-27-21(23-19)18-10-13-24(14-11-18)20(26)8-7-17-5-3-2-4-6-17/h2-6,15,18H,7-14H2,1H3,(H,22,25).
What are the key properties of N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 385.53 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 71841963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).