N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide

C15H24N4O3S — CID 129357405

IUPACN-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1
InChIInChI=1S/C15H24N4O3S/c1-2-19-9-5-14(17-19)15(20)16-12-3-7-18(8-4-12)13-6-10-23(21,22)11-13/h5,9,12-13H,2-4,6-8,10-11H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyQOGMIJZIGHRILM-CYBMUJFWSA-N
MW340.45 g/mol
LogP0.28
Rot. Bonds4

About N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide

N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide (PubChem CID 129357405) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide
PubChem CID129357405
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1
InChIInChI=1S/C15H24N4O3S/c1-2-19-9-5-14(17-19)15(20)16-12-3-7-18(8-4-12)13-6-10-23(21,22)11-13/h5,9,12-13H,2-4,6-8,10-11H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyQOGMIJZIGHRILM-CYBMUJFWSA-N
XLogP0.28
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 125172263
N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide
CID 122245618
N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide
CID 129357828
2-chloro-N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-5-fluorobenzamide
CID 129357673
N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 129357027
1-(1,1-dioxothiolan-3-yl)-N-propylpiperidin-4-amine
CID 43315218
1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide
CID 146043892
N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide
CID 92634374
N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271179
N-(1-benzylpiperidin-4-yl)-1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 95859471
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 77088115
N-cycloheptyl-1-(1,1-dioxothiolan-3-yl)-5-methylpyrazole-3-carboxamide
CID 110390775

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide (CID 129357405) is N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)NC2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1.
What is the InChIKey of N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is QOGMIJZIGHRILM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-2-19-9-5-14(17-19)15(20)16-12-3-7-18(8-4-12)13-6-10-23(21,22)11-13/h5,9,12-13H,2-4,6-8,10-11H2,1H3,(H,16,20)/t13-/m1/s1.
What are the key properties of N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide?
N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 129357405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).