1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide

C21H20N4O2S — CID 126777615

IUPAC1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)C1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C21H20N4O2S/c26-19(24-17-6-4-16(5-7-17)20-23-11-14-28-20)15-8-12-25(13-9-15)21(27)18-3-1-2-10-22-18/h1-7,10-11,14-15H,8-9,12-13H2,(H,24,26)
InChIKeyKEKFXCRQQJVVMG-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.70
Rot. Bonds4

About 1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide

1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 126777615) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID126777615
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)C1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C21H20N4O2S/c26-19(24-17-6-4-16(5-7-17)20-23-11-14-28-20)15-8-12-25(13-9-15)21(27)18-3-1-2-10-22-18/h1-7,10-11,14-15H,8-9,12-13H2,(H,24,26)
InChIKeyKEKFXCRQQJVVMG-UHFFFAOYSA-N
XLogP3.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 51090657
N-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide
CID 166311308
(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 9114837
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030
(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41036911
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 134697217
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 17395338
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125024711
1-(6-methylpyridine-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 32565194
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 64822199
(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 141265347

Frequently Asked Questions

What is the IUPAC name of 1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide (CID 126777615) is 1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(-c2nccs2)cc1)C1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of 1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is KEKFXCRQQJVVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c26-19(24-17-6-4-16(5-7-17)20-23-11-14-28-20)15-8-12-25(13-9-15)21(27)18-3-1-2-10-22-18/h1-7,10-11,14-15H,8-9,12-13H2,(H,24,26).
What are the key properties of 1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridine-2-carbonyl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 126777615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).