N,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide

C16H26N2OS — CID 2838079

IUPACN,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2sccc2C)C1
InChIInChI=1S/C16H26N2OS/c1-4-18(5-2)16(19)14-7-6-9-17(11-14)12-15-13(3)8-10-20-15/h8,10,14H,4-7,9,11-12H2,1-3H3
InChIKeyZCXSIECAMXSXOC-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.14
Rot. Bonds5

About N,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide

N,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 2838079) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide
PubChem CID2838079
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2sccc2C)C1
InChIInChI=1S/C16H26N2OS/c1-4-18(5-2)16(19)14-7-6-9-17(11-14)12-15-13(3)8-10-20-15/h8,10,14H,4-7,9,11-12H2,1-3H3
InChIKeyZCXSIECAMXSXOC-UHFFFAOYSA-N
XLogP3.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide (CID 2838079) is N,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2sccc2C)C1.
What is the InChIKey of N,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is ZCXSIECAMXSXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-18(5-2)16(19)14-7-6-9-17(11-14)12-15-13(3)8-10-20-15/h8,10,14H,4-7,9,11-12H2,1-3H3.
What are the key properties of N,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide?
N,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 2838079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).