4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide

C19H25N3O2S — CID 90597226

IUPAC4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
SMILESCCCCOc1ccc(C(=O)NC2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C19H25N3O2S/c1-2-3-13-24-17-6-4-15(5-7-17)18(23)21-16-8-11-22(12-9-16)19-20-10-14-25-19/h4-7,10,14,16H,2-3,8-9,11-13H2,1H3,(H,21,23)
InChIKeyGFLQYAJYNUWEMS-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.72
Rot. Bonds7

About 4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide

4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide (PubChem CID 90597226) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
PubChem CID90597226
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
SMILESCCCCOc1ccc(C(=O)NC2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C19H25N3O2S/c1-2-3-13-24-17-6-4-15(5-7-17)18(23)21-16-8-11-22(12-9-16)19-20-10-14-25-19/h4-7,10,14,16H,2-3,8-9,11-13H2,1H3,(H,21,23)
InChIKeyGFLQYAJYNUWEMS-UHFFFAOYSA-N
XLogP3.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597214
4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 99875296
4-butoxy-N-cyclobutylbenzamide
CID 71449411
4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144583
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144613
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]pentanamide
CID 121144562
N-cyclohexyl-4-propoxybenzamide
CID 4938429
4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 90597173
2-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597201
2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 71810013
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The IUPAC name of 4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide (CID 90597226) is 4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide is CCCCOc1ccc(C(=O)NC2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of 4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The InChIKey is GFLQYAJYNUWEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-2-3-13-24-17-6-4-15(5-7-17)18(23)21-16-8-11-22(12-9-16)19-20-10-14-25-19/h4-7,10,14,16H,2-3,8-9,11-13H2,1H3,(H,21,23).
What are the key properties of 4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide has a molecular weight of 359.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 90597226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).