N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C18H24N4O4S — CID 109138175

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CC1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H24N4O4S/c23-17(20-13-4-10-27(25,26)12-13)14-11-15(14)18(24)22-8-6-21(7-9-22)16-3-1-2-5-19-16/h1-3,5,13-15H,4,6-12H2,(H,20,23)
InChIKeyWNIAXOYEOHKMKK-UHFFFAOYSA-N
MW392.48 g/mol
LogP-0.33
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109138175) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109138175
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CC1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H24N4O4S/c23-17(20-13-4-10-27(25,26)12-13)14-11-15(14)18(24)22-8-6-21(7-9-22)16-3-1-2-5-19-16/h1-3,5,13-15H,4,6-12H2,(H,20,23)
InChIKeyWNIAXOYEOHKMKK-UHFFFAOYSA-N
XLogP-0.33
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1,1-dioxothiolan-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56809257
N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 44761689
N-(1,1-dioxothiolan-3-yl)-3-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]propanamide
CID 111219245
N-cyclopropyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109130885
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109133323
N-(1,1-dioxothiolan-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133302
N-(pyridin-4-ylmethyl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109137199
N-[(2-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135176
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139223
2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138181
N-[(3S)-1,1-dioxothiolan-3-yl]-4-phenylpiperazine-1-carboxamide
CID 94017270
N-(1,1-dioxothiolan-3-yl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168928

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109138175) is N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is O=C(NC1CCS(=O)(=O)C1)C1CC1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is WNIAXOYEOHKMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c23-17(20-13-4-10-27(25,26)12-13)14-11-15(14)18(24)22-8-6-21(7-9-22)16-3-1-2-5-19-16/h1-3,5,13-15H,4,6-12H2,(H,20,23).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 392.48 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109138175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).