1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide

C16H23N3O2S — CID 75416081

IUPAC1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C16H23N3O2S/c1-2-4-14(20)19-9-7-11(8-10-19)15(21)18-16-17-12-5-3-6-13(12)22-16/h11H,2-10H2,1H3,(H,17,18,21)
InChIKeyYRYOFTNGYVTRFO-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.61
Rot. Bonds4

About 1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide

1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 75416081) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide
PubChem CID75416081
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C16H23N3O2S/c1-2-4-14(20)19-9-7-11(8-10-19)15(21)18-16-17-12-5-3-6-13(12)22-16/h11H,2-10H2,1H3,(H,17,18,21)
InChIKeyYRYOFTNGYVTRFO-UHFFFAOYSA-N
XLogP2.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide (CID 75416081) is 1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)Nc2nc3c(s2)CCC3)CC1.
What is the InChIKey of 1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is YRYOFTNGYVTRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-2-4-14(20)19-9-7-11(8-10-19)15(21)18-16-17-12-5-3-6-13(12)22-16/h11H,2-10H2,1H3,(H,17,18,21).
What are the key properties of 1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide?
1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 75416081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).