4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide

C17H25N5OS — CID 124596967

IUPAC4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC(c2cnn(CC)c2)CC1)c1nccs1
InChIInChI=1S/C17H25N5OS/c1-3-15(16-18-7-10-24-16)20-17(23)21-8-5-13(6-9-21)14-11-19-22(4-2)12-14/h7,10-13,15H,3-6,8-9H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyMOPILFNIBBTKAA-OAHLLOKOSA-N
MW347.49 g/mol
LogP3.40
Rot. Bonds5

About 4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide

4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide (PubChem CID 124596967) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
PubChem CID124596967
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC(c2cnn(CC)c2)CC1)c1nccs1
InChIInChI=1S/C17H25N5OS/c1-3-15(16-18-7-10-24-16)20-17(23)21-8-5-13(6-9-21)14-11-19-22(4-2)12-14/h7,10-13,15H,3-6,8-9H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyMOPILFNIBBTKAA-OAHLLOKOSA-N
XLogP3.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124619050
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 154762701
3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 111439100
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 124596949
(3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124596974
4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 126766675
(3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
CID 97096563
4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
CID 124596959
4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
CID 75437484
5,8-difluoro-N-[1-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71922981
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide (CID 124596967) is 4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide is CC[C@@H](NC(=O)N1CCC(c2cnn(CC)c2)CC1)c1nccs1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The InChIKey is MOPILFNIBBTKAA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-3-15(16-18-7-10-24-16)20-17(23)21-8-5-13(6-9-21)14-11-19-22(4-2)12-14/h7,10-13,15H,3-6,8-9H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 124596967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).