1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide

C19H31N3O2S — CID 51128770

IUPAC1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCN(C(=O)NC(C)c2cc(C)sc2C)CC1
InChIInChI=1S/C19H31N3O2S/c1-6-21(7-2)18(23)16-8-10-22(11-9-16)19(24)20-14(4)17-12-13(3)25-15(17)5/h12,14,16H,6-11H2,1-5H3,(H,20,24)
InChIKeyXEHYSRVSCHWDMB-UHFFFAOYSA-N
MW365.54 g/mol
LogP3.72
Rot. Bonds5

About 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide

1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide (PubChem CID 51128770) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide
PubChem CID51128770
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCN(C(=O)NC(C)c2cc(C)sc2C)CC1
InChIInChI=1S/C19H31N3O2S/c1-6-21(7-2)18(23)16-8-10-22(11-9-16)19(24)20-14(4)17-12-13(3)25-15(17)5/h12,14,16H,6-11H2,1-5H3,(H,20,24)
InChIKeyXEHYSRVSCHWDMB-UHFFFAOYSA-N
XLogP3.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

(3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 97003531
(2R)-1-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922641
2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 60866013
methyl 4-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]carbamoylamino]piperidine-1-carboxylate
CID 94813602
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 52520848
(2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
CID 99823805
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide
CID 79204774
2-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569421
2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974946
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 136521486
N,N-diethyl-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113005259

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide (CID 51128770) is 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide is CCN(CC)C(=O)C1CCN(C(=O)NC(C)c2cc(C)sc2C)CC1.
What is the InChIKey of 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide?
The InChIKey is XEHYSRVSCHWDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-6-21(7-2)18(23)16-8-10-22(11-9-16)19(24)20-14(4)17-12-13(3)25-15(17)5/h12,14,16H,6-11H2,1-5H3,(H,20,24).
What are the key properties of 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide?
1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide has a molecular weight of 365.54 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 51128770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).