1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone

C15H25N3OS — CID 43223422

IUPAC1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC(c2cccs2)N(C)C)CC1
InChIInChI=1S/C15H25N3OS/c1-12(19)18-8-6-13(7-9-18)16-11-14(17(2)3)15-5-4-10-20-15/h4-5,10,13-14,16H,6-9,11H2,1-3H3
InChIKeySRJQCOFYUWFKKO-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.95
Rot. Bonds5

About 1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone

1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone (PubChem CID 43223422) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone
PubChem CID43223422
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC(c2cccs2)N(C)C)CC1
InChIInChI=1S/C15H25N3OS/c1-12(19)18-8-6-13(7-9-18)16-11-14(17(2)3)15-5-4-10-20-15/h4-5,10,13-14,16H,6-9,11H2,1-3H3
InChIKeySRJQCOFYUWFKKO-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 103801716
N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 65071295
N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 54981658
N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine
CID 54902452
4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide
CID 94029999
N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43079511
3-(cyclopropylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 61274579
N-(1-acetylpiperidin-4-yl)-2-amino-2-thiophen-2-ylacetamide
CID 115286367
1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 97062251
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate
CID 103392910
N,N-dimethyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxamide
CID 83261830

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone (CID 43223422) is 1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCC(c2cccs2)N(C)C)CC1.
What is the InChIKey of 1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone?
The InChIKey is SRJQCOFYUWFKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-12(19)18-8-6-13(7-9-18)16-11-14(17(2)3)15-5-4-10-20-15/h4-5,10,13-14,16H,6-9,11H2,1-3H3.
What are the key properties of 1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone?
1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone has a molecular weight of 295.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43223422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).