N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide

C13H19ClN2OS — CID 107067368

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide
SMILESCC(NC(=O)C1NCCCC1C)c1ccc(Cl)s1
InChIInChI=1S/C13H19ClN2OS/c1-8-4-3-7-15-12(8)13(17)16-9(2)10-5-6-11(14)18-10/h5-6,8-9,12,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyDXJSCHAJEAQGMC-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.97
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide (PubChem CID 107067368) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide
PubChem CID107067368
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide
SMILESCC(NC(=O)C1NCCCC1C)c1ccc(Cl)s1
InChIInChI=1S/C13H19ClN2OS/c1-8-4-3-7-15-12(8)13(17)16-9(2)10-5-6-11(14)18-10/h5-6,8-9,12,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyDXJSCHAJEAQGMC-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-2-carboxamide
CID 107068069
N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 43705040
N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067843
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 114998144
4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783143
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107068435
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide
CID 114428229
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43705073
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119287384
3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 107068241
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide (CID 107067368) is N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide is CC(NC(=O)C1NCCCC1C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide?
The InChIKey is DXJSCHAJEAQGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-8-4-3-7-15-12(8)13(17)16-9(2)10-5-6-11(14)18-10/h5-6,8-9,12,15H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide has a molecular weight of 286.83 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).