N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

C23H31N3O2S — CID 112759795

IUPACN-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCC(=O)N(c2ccc(C)cc2)C1c1cccs1
InChIInChI=1S/C23H31N3O2S/c1-4-25(5-2)15-14-24-23(28)19-12-13-21(27)26(18-10-8-17(3)9-11-18)22(19)20-7-6-16-29-20/h6-11,16,19,22H,4-5,12-15H2,1-3H3,(H,24,28)
InChIKeySPMVIWDMKIRSKS-UHFFFAOYSA-N
MW413.59 g/mol
LogP4.00
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (PubChem CID 112759795) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
PubChem CID112759795
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC NameN-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCC(=O)N(c2ccc(C)cc2)C1c1cccs1
InChIInChI=1S/C23H31N3O2S/c1-4-25(5-2)15-14-24-23(28)19-12-13-21(27)26(18-10-8-17(3)9-11-18)22(19)20-7-6-16-29-20/h6-11,16,19,22H,4-5,12-15H2,1-3H3,(H,24,28)
InChIKeySPMVIWDMKIRSKS-UHFFFAOYSA-N
XLogP4.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-N-[4-(diethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26899622
(2S,3S)-N-[4-(diethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26899623
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 112794660
N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 112789008
(2R,3R)-N-[(2S)-1-methoxypropan-2-yl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 52892748
1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide
CID 119450128
(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26093966
N-[3-(1H-benzimidazol-2-yl)propyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 55461112
N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 46517441
(2S,3R)-N-(3-cyanothiophen-2-yl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 40985167
(2R,3S)-1-(4-methylphenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 30483407
N-[4-(cyanomethyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 60601232

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (CID 112759795) is N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is CCN(CC)CCNC(=O)C1CCC(=O)N(c2ccc(C)cc2)C1c1cccs1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The InChIKey is SPMVIWDMKIRSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-4-25(5-2)15-14-24-23(28)19-12-13-21(27)26(18-10-8-17(3)9-11-18)22(19)20-7-6-16-29-20/h6-11,16,19,22H,4-5,12-15H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide has a molecular weight of 413.59 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 112759795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).