N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide

C16H19ClN4O3S — CID 55931139

IUPACN-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)CN2CSCC2=O)CC1
InChIInChI=1S/C16H19ClN4O3S/c17-12-1-2-13(18-7-12)19-16(24)11-3-5-20(6-4-11)14(22)8-21-10-25-9-15(21)23/h1-2,7,11H,3-6,8-10H2,(H,18,19,24)
InChIKeyVNIXPLHXAVRWRG-UHFFFAOYSA-N
MW382.87 g/mol
LogP1.45
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide (PubChem CID 55931139) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide
PubChem CID55931139
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)CN2CSCC2=O)CC1
InChIInChI=1S/C16H19ClN4O3S/c17-12-1-2-13(18-7-12)19-16(24)11-3-5-20(6-4-11)14(22)8-21-10-25-9-15(21)23/h1-2,7,11H,3-6,8-10H2,(H,18,19,24)
InChIKeyVNIXPLHXAVRWRG-UHFFFAOYSA-N
XLogP1.45
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55812910
N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 55923776
N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 55815413
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride
CID 120982476
N-(5-chloro-2-pyridinyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497514
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55818394
4-N-(5-chloro-2-pyridinyl)-1-N-(2-fluorophenyl)piperidine-1,4-dicarboxamide
CID 47065712
N-(5-chloro-2-pyridinyl)-1-(4-fluoro-2-iodobenzoyl)piperidine-4-carboxamide
CID 55925189
N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166248157

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide (CID 55931139) is N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)CN2CSCC2=O)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is VNIXPLHXAVRWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c17-12-1-2-13(18-7-12)19-16(24)11-3-5-20(6-4-11)14(22)8-21-10-25-9-15(21)23/h1-2,7,11H,3-6,8-10H2,(H,18,19,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 382.87 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55931139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).