4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

C21H28N4O2S — CID 42905460

IUPAC4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C21H28N4O2S/c1-24(2)18(19-9-6-14-28-19)15-22-20(26)16-10-12-25(13-11-16)21(27)23-17-7-4-3-5-8-17/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyVQOYBCGFXZINQX-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.41
Rot. Bonds6

About 4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 42905460) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID42905460
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C21H28N4O2S/c1-24(2)18(19-9-6-14-28-19)15-22-20(26)16-10-12-25(13-11-16)21(27)23-17-7-4-3-5-8-17/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyVQOYBCGFXZINQX-UHFFFAOYSA-N
XLogP3.41
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 97062251
4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 9220209
4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26462883
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17499690
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74233287
4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845707
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4808890
1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide
CID 17482911
4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide
CID 94029999
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
(2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631379
1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 43223422

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide (CID 42905460) is 4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide is CN(C)C(CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccs1.
What is the InChIKey of 4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is VQOYBCGFXZINQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-24(2)18(19-9-6-14-28-19)15-22-20(26)16-10-12-25(13-11-16)21(27)23-17-7-4-3-5-8-17/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 400.55 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 42905460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).