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

C16H21N3O2S — CID 33039493

IUPAC1-(cyclopropanecarbonyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H21N3O2S/c20-14(18-16-17-12-2-1-3-13(12)22-16)10-6-8-19(9-7-10)15(21)11-4-5-11/h10-11H,1-9H2,(H,17,18,20)
InChIKeyZSHPYOVHLBEOQS-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.22
Rot. Bonds3

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

1-(cyclopropanecarbonyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 33039493) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide
PubChem CID33039493
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-(cyclopropanecarbonyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H21N3O2S/c20-14(18-16-17-12-2-1-3-13(12)22-16)10-6-8-19(9-7-10)15(21)11-4-5-11/h10-11H,1-9H2,(H,17,18,20)
InChIKeyZSHPYOVHLBEOQS-UHFFFAOYSA-N
XLogP2.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide (CID 33039493) is 1-(cyclopropanecarbonyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nc2c(s1)CCC2)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is ZSHPYOVHLBEOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-14(18-16-17-12-2-1-3-13(12)22-16)10-6-8-19(9-7-10)15(21)11-4-5-11/h10-11H,1-9H2,(H,17,18,20).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 33039493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).