1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide

C13H19N5O2S — CID 126804623

IUPAC1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1csnn1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C13H19N5O2S/c19-12(14-11-9-21-16-15-11)10-3-7-18(8-4-10)13(20)17-5-1-2-6-17/h9-10H,1-8H2,(H,14,19)
InChIKeyFVTVETURZILCPD-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.40
Rot. Bonds2

About 1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide

1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide (PubChem CID 126804623) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide
PubChem CID126804623
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1csnn1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C13H19N5O2S/c19-12(14-11-9-21-16-15-11)10-3-7-18(8-4-10)13(20)17-5-1-2-6-17/h9-10H,1-8H2,(H,14,19)
InChIKeyFVTVETURZILCPD-UHFFFAOYSA-N
XLogP1.40
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(pyrrolidine-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-4-carboxamide
CID 126828988
N-(4-cyano-6-methyl-2-pyridinyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 167786103
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719450
N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55760620
N-pyrazolo[1,5-a]pyridin-3-yl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126841557
N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 91651859
1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide
CID 55718448
(4-hydroxypiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 112725643
N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55960086
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
N-(4-phenyl-1,3-oxazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 132972292

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide (CID 126804623) is 1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide is O=C(Nc1csnn1)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of 1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide?
The InChIKey is FVTVETURZILCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c19-12(14-11-9-21-16-15-11)10-3-7-18(8-4-10)13(20)17-5-1-2-6-17/h9-10H,1-8H2,(H,14,19).
What are the key properties of 1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide?
1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide has a molecular weight of 309.40 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidine-1-carbonyl)-N-(thiadiazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 126804623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).