1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide

C16H24N4O2S — CID 72889005

IUPAC1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCCc1nnc(CNC(=O)C2CCN(C(=O)C3CCC3)CC2)s1
InChIInChI=1S/C16H24N4O2S/c1-2-13-18-19-14(23-13)10-17-15(21)11-6-8-20(9-7-11)16(22)12-4-3-5-12/h11-12H,2-10H2,1H3,(H,17,21)
InChIKeyYWNOCSXTADXTAS-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.76
Rot. Bonds5

About 1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 72889005) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID72889005
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCCc1nnc(CNC(=O)C2CCN(C(=O)C3CCC3)CC2)s1
InChIInChI=1S/C16H24N4O2S/c1-2-13-18-19-14(23-13)10-17-15(21)11-6-8-20(9-7-11)16(22)12-4-3-5-12/h11-12H,2-10H2,1H3,(H,17,21)
InChIKeyYWNOCSXTADXTAS-UHFFFAOYSA-N
XLogP1.76
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide (CID 72889005) is 1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide is CCc1nnc(CNC(=O)C2CCN(C(=O)C3CCC3)CC2)s1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is YWNOCSXTADXTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-2-13-18-19-14(23-13)10-17-15(21)11-6-8-20(9-7-11)16(22)12-4-3-5-12/h11-12H,2-10H2,1H3,(H,17,21).
What are the key properties of 1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72889005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).