N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

C18H28N4O4S — CID 120754529

IUPACN-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCOCCN(C(=O)CN1CCNCC1c1cccnc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H28N4O4S/c1-26-9-8-22(16-4-10-27(24,25)14-16)18(23)13-21-7-6-20-12-17(21)15-3-2-5-19-11-15/h2-3,5,11,16-17,20H,4,6-10,12-14H2,1H3
InChIKeyPNOAAHSZFLGPLH-UHFFFAOYSA-N
MW396.51 g/mol
LogP-0.31
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (PubChem CID 120754529) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
PubChem CID120754529
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCOCCN(C(=O)CN1CCNCC1c1cccnc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H28N4O4S/c1-26-9-8-22(16-4-10-27(24,25)14-16)18(23)13-21-7-6-20-12-17(21)15-3-2-5-19-11-15/h2-3,5,11,16-17,20H,4,6-10,12-14H2,1H3
InChIKeyPNOAAHSZFLGPLH-UHFFFAOYSA-N
XLogP-0.31
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide with MolForge

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Related Compounds

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755033
N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120869682
N-methyl-N-(4-methylcyclohexyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754378
[4-(3-methoxypropoxy)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730857
2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
CID 61140908
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755770
N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755259
1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120754690
4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride
CID 120730453
methyl 5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxylate;hydrochloride
CID 120768227
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 125180022
3-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
CID 118770079

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (CID 120754529) is N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is COCCN(C(=O)CN1CCNCC1c1cccnc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The InChIKey is PNOAAHSZFLGPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-26-9-8-22(16-4-10-27(24,25)14-16)18(23)13-21-7-6-20-12-17(21)15-3-2-5-19-11-15/h2-3,5,11,16-17,20H,4,6-10,12-14H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide has a molecular weight of 396.51 g/mol, XLogP of -0.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 120754529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).