(5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium

C16H25ClN3O3S+ — CID 8787229

IUPAC(5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
SMILESCCOC(=O)N1CCC(NC(=O)C[NH+](C)Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-3-23-16(22)20-8-6-12(7-9-20)18-15(21)11-19(2)10-13-4-5-14(17)24-13/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)/p+1
InChIKeyDGDCAGBGNPNWRB-UHFFFAOYSA-O
MW374.91 g/mol
LogP1.15
Rot. Bonds6

About (5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium

(5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium (PubChem CID 8787229) has the molecular formula C16H25ClN3O3S+ and a molecular weight of 374.91 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
PubChem CID8787229
Molecular FormulaC16H25ClN3O3S+
Molecular Weight374.91 g/mol
Exact Mass374.13
IUPAC Name(5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
SMILESCCOC(=O)N1CCC(NC(=O)C[NH+](C)Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-3-23-16(22)20-8-6-12(7-9-20)18-15(21)11-19(2)10-13-4-5-14(17)24-13/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)/p+1
InChIKeyDGDCAGBGNPNWRB-UHFFFAOYSA-O
XLogP1.15
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

(2-chlorophenyl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8542384
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498
2-(3,4-dimethoxyphenyl)ethyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8682128
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate
CID 2815508
ethyl 4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxylate
CID 11748243
[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8842192
ethyl 4-[[N'-[(5-methylthiophen-2-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111046035
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 26776895
ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110766816
ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003769
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
CID 46540052

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium?
The IUPAC name of (5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium (CID 8787229) is (5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium is CCOC(=O)N1CCC(NC(=O)C[NH+](C)Cc2ccc(Cl)s2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium?
The InChIKey is DGDCAGBGNPNWRB-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24ClN3O3S/c1-3-23-16(22)20-8-6-12(7-9-20)18-15(21)11-19(2)10-13-4-5-14(17)24-13/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)/p+1.
What are the key properties of (5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium?
(5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium has a molecular weight of 374.91 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8787229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).