[3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C18H23N3OS — CID 35438430

IUPAC[3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(Cc3ccsc3)CC2)c1
InChIInChI=1S/C18H23N3OS/c1-19(2)17-5-3-4-16(12-17)18(22)21-9-7-20(8-10-21)13-15-6-11-23-14-15/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyZMTORANSLOWIGS-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.77
Rot. Bonds4

About [3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

[3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 35438430) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID35438430
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name[3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(Cc3ccsc3)CC2)c1
InChIInChI=1S/C18H23N3OS/c1-19(2)17-5-3-4-16(12-17)18(22)21-9-7-20(8-10-21)13-15-6-11-23-14-15/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyZMTORANSLOWIGS-UHFFFAOYSA-N
XLogP2.77
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856681
[3-(dimethylamino)phenyl]-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30086319
(3-pyrrolidin-1-ylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9181425
1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110741465
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
(5-hydroxy-3-pyridinyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63859905
(4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 24517457
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 6733780
[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 20972211
1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110804228
1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 60786486
[3-(dimethylamino)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6213753

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 35438430) is [3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is CN(C)c1cccc(C(=O)N2CCN(Cc3ccsc3)CC2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is ZMTORANSLOWIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-19(2)17-5-3-4-16(12-17)18(22)21-9-7-20(8-10-21)13-15-6-11-23-14-15/h3-6,11-12,14H,7-10,13H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 329.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 35438430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).