N,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide

C18H28N2OS — CID 2837890

IUPACN,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(SC)cc2)C1
InChIInChI=1S/C18H28N2OS/c1-4-20(5-2)18(21)16-7-6-12-19(14-16)13-15-8-10-17(22-3)11-9-15/h8-11,16H,4-7,12-14H2,1-3H3
InChIKeyQSOVJPVXFZITOO-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.49
Rot. Bonds6

About N,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide

N,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 2837890) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is N,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
PubChem CID2837890
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC NameN,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(SC)cc2)C1
InChIInChI=1S/C18H28N2OS/c1-4-20(5-2)18(21)16-7-6-12-19(14-16)13-15-8-10-17(22-3)11-9-15/h8-11,16H,4-7,12-14H2,1-3H3
InChIKeyQSOVJPVXFZITOO-UHFFFAOYSA-N
XLogP3.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.49
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-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide (CID 2837890) is N,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2ccc(SC)cc2)C1.
What is the InChIKey of N,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is QSOVJPVXFZITOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-4-20(5-2)18(21)16-7-6-12-19(14-16)13-15-8-10-17(22-3)11-9-15/h8-11,16H,4-7,12-14H2,1-3H3.
What are the key properties of N,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide?
N,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 320.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 2837890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).