[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone

C19H24N2OS — CID 70709336

IUPAC[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)c2ccsc2)cc1
InChIInChI=1S/C19H24N2OS/c1-20(2)13-15-6-8-16(9-7-15)18-5-3-4-11-21(18)19(22)17-10-12-23-14-17/h6-10,12,14,18H,3-5,11,13H2,1-2H3
InChIKeyJSRNQUXICODFQW-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.18
Rot. Bonds4

About [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone

[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 70709336) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID70709336
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)c2ccsc2)cc1
InChIInChI=1S/C19H24N2OS/c1-20(2)13-15-6-8-16(9-7-15)18-5-3-4-11-21(18)19(22)17-10-12-23-14-17/h6-10,12,14,18H,3-5,11,13H2,1-2H3
InChIKeyJSRNQUXICODFQW-UHFFFAOYSA-N
XLogP4.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97190267
4-[2-[4-[(dimethylamino)methyl]phenyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70719498
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 94617936
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70706627
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56873767
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70761404
[(2S)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124947110
4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
CID 125179783
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 126436777
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 70764712
(4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 70769553
(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 176500830

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone (CID 70709336) is [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone is CN(C)Cc1ccc(C2CCCCN2C(=O)c2ccsc2)cc1.
What is the InChIKey of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is JSRNQUXICODFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-20(2)13-15-6-8-16(9-7-15)18-5-3-4-11-21(18)19(22)17-10-12-23-14-17/h6-10,12,14,18H,3-5,11,13H2,1-2H3.
What are the key properties of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone?
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 328.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 70709336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).