1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide

C17H27N5O2S — CID 656355

IUPAC1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCCc1nnc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)s1
InChIInChI=1S/C17H27N5O2S/c1-2-14-20-21-16(25-14)19-15(23)12-8-10-22(11-9-12)17(24)18-13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,18,24)(H,19,21,23)
InChIKeyGLXABLYBOWNNKM-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.79
Rot. Bonds4

About 1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide

1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 656355) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
PubChem CID656355
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Name1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCCc1nnc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)s1
InChIInChI=1S/C17H27N5O2S/c1-2-14-20-21-16(25-14)19-15(23)12-8-10-22(11-9-12)17(24)18-13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,18,24)(H,19,21,23)
InChIKeyGLXABLYBOWNNKM-UHFFFAOYSA-N
XLogP2.79
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 1458195
N-cyclohexyl-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 30864319
1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 47196092
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 50875779
1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47245076
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide
CID 3216036
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 787680
trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 107641885

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide (CID 656355) is 1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide is CCc1nnc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)s1.
What is the InChIKey of 1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is GLXABLYBOWNNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-2-14-20-21-16(25-14)19-15(23)12-8-10-22(11-9-12)17(24)18-13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,18,24)(H,19,21,23).
What are the key properties of 1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 656355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).