1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide

C14H20ClN3O2S — CID 52910545

IUPAC1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide
SMILESCNC(=O)C1CCN(C(=O)NCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C14H20ClN3O2S/c1-16-13(19)10-5-8-18(9-6-10)14(20)17-7-4-11-2-3-12(15)21-11/h2-3,10H,4-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyGGPZHEKHIWJAGQ-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.11
Rot. Bonds4

About 1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide

1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide (PubChem CID 52910545) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide
PubChem CID52910545
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide
SMILESCNC(=O)C1CCN(C(=O)NCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C14H20ClN3O2S/c1-16-13(19)10-5-8-18(9-6-10)14(20)17-7-4-11-2-3-12(15)21-11/h2-3,10H,4-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyGGPZHEKHIWJAGQ-UHFFFAOYSA-N
XLogP2.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide (CID 52910545) is 1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide is CNC(=O)C1CCN(C(=O)NCCc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide?
The InChIKey is GGPZHEKHIWJAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c1-16-13(19)10-5-8-18(9-6-10)14(20)17-7-4-11-2-3-12(15)21-11/h2-3,10H,4-9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide?
1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide has a molecular weight of 329.85 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 52910545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).