1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone

C20H26N2OS — CID 70761404

IUPAC1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)Cc2cccs2)cc1
InChIInChI=1S/C20H26N2OS/c1-21(2)15-16-8-10-17(11-9-16)19-7-3-4-12-22(19)20(23)14-18-6-5-13-24-18/h5-6,8-11,13,19H,3-4,7,12,14-15H2,1-2H3
InChIKeyNHZPFAVJOMSYAJ-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.11
Rot. Bonds5

About 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone

1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 70761404) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID70761404
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)Cc2cccs2)cc1
InChIInChI=1S/C20H26N2OS/c1-21(2)15-16-8-10-17(11-9-16)19-7-3-4-12-22(19)20(23)14-18-6-5-13-24-18/h5-6,8-11,13,19H,3-4,7,12,14-15H2,1-2H3
InChIKeyNHZPFAVJOMSYAJ-UHFFFAOYSA-N
XLogP4.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methylphenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 50747412
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56873767
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 94016778
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70709336
(3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 93000774
1-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-2-(2H-tetrazol-5-yl)ethanone
CID 56758889
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 70738677
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 70774951
3-(benzenesulfonyl)-1-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]propan-1-one
CID 131916904
[(2S)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97190267
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-3-[4-(hydroxymethyl)thiophen-2-yl]prop-2-en-1-one
CID 171139695
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 120741698

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone (CID 70761404) is 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone is CN(C)Cc1ccc(C2CCCCN2C(=O)Cc2cccs2)cc1.
What is the InChIKey of 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is NHZPFAVJOMSYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-21(2)15-16-8-10-17(11-9-16)19-7-3-4-12-22(19)20(23)14-18-6-5-13-24-18/h5-6,8-11,13,19H,3-4,7,12,14-15H2,1-2H3.
What are the key properties of 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 342.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 70761404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).