N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide

C15H22N2O2S — CID 62037244

IUPACN-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1CCCC(=O)c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-16-15(19)12-6-2-3-9-17(12)10-4-7-13(18)14-8-5-11-20-14/h5,8,11-12H,2-4,6-7,9-10H2,1H3,(H,16,19)
InChIKeyVPCLXOCVXIVPSK-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.31
Rot. Bonds6

About N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide

N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide (PubChem CID 62037244) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide
PubChem CID62037244
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1CCCC(=O)c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-16-15(19)12-6-2-3-9-17(12)10-4-7-13(18)14-8-5-11-20-14/h5,8,11-12H,2-4,6-7,9-10H2,1H3,(H,16,19)
InChIKeyVPCLXOCVXIVPSK-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 60680965
4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
1-but-3-ynyl-N-methylpiperidine-2-carboxamide
CID 63656435
1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62037634
N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 83102887
4-[3-(dimethylamino)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 63163843
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one
CID 62491674
4-[3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 60688496
1-[2-(2-hydroxyethoxy)ethyl]-N-methylpiperidine-2-carboxamide
CID 111439529
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 112626449
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 79315103

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide (CID 62037244) is N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide is CNC(=O)C1CCCCN1CCCC(=O)c1cccs1.
What is the InChIKey of N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide?
The InChIKey is VPCLXOCVXIVPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-16-15(19)12-6-2-3-9-17(12)10-4-7-13(18)14-8-5-11-20-14/h5,8,11-12H,2-4,6-7,9-10H2,1H3,(H,16,19).
What are the key properties of N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide?
N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide is sourced from PubChem (CID 62037244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).