4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

C20H25N5O2S — CID 120929070

IUPAC4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide
SMILESO=C(c1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1)N1CCSCC1
InChIInChI=1S/C20H25N5O2S/c26-18(24-11-13-28-14-12-24)16-3-1-4-17(15-16)23-19(27)20(5-8-21-9-6-20)25-10-2-7-22-25/h1-4,7,10,15,21H,5-6,8-9,11-14H2,(H,23,27)
InChIKeyUCIKMWOQLKDDOZ-UHFFFAOYSA-N
MW399.52 g/mol
LogP1.79
Rot. Bonds4

About 4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide (PubChem CID 120929070) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide
PubChem CID120929070
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide
SMILESO=C(c1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1)N1CCSCC1
InChIInChI=1S/C20H25N5O2S/c26-18(24-11-13-28-14-12-24)16-3-1-4-17(15-16)23-19(27)20(5-8-21-9-6-20)25-10-2-7-22-25/h1-4,7,10,15,21H,5-6,8-9,11-14H2,(H,23,27)
InChIKeyUCIKMWOQLKDDOZ-UHFFFAOYSA-N
XLogP1.79
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926534
N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918876
4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 120939642
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 120917447
4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120916709
N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936580
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide (CID 120929070) is 4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide is O=C(c1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1)N1CCSCC1.
What is the InChIKey of 4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide?
The InChIKey is UCIKMWOQLKDDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c26-18(24-11-13-28-14-12-24)16-3-1-4-17(15-16)23-19(27)20(5-8-21-9-6-20)25-10-2-7-22-25/h1-4,7,10,15,21H,5-6,8-9,11-14H2,(H,23,27).
What are the key properties of 4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide?
4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120929070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).