[4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone

C18H23N3OS — CID 122143430

IUPAC[4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCN(c3cccs3)CC2)cc1
InChIInChI=1S/C18H23N3OS/c1-19(2)14-15-5-7-16(8-6-15)18(22)21-11-9-20(10-12-21)17-4-3-13-23-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyAIAZTVRCSBCPDV-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.77
Rot. Bonds4

About [4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone

[4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone (PubChem CID 122143430) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone
PubChem CID122143430
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name[4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCN(c3cccs3)CC2)cc1
InChIInChI=1S/C18H23N3OS/c1-19(2)14-15-5-7-16(8-6-15)18(22)21-11-9-20(10-12-21)17-4-3-13-23-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyAIAZTVRCSBCPDV-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

[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
[4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 71990960
N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046086
[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102879
(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 126793221
N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 32771155
4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one
CID 62734574
(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 119894758
[4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-[4-[(dimethylamino)methyl]phenyl]methanone
CID 110245604
1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone
CID 136548773
(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119894757
4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119894828

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone (CID 122143430) is [4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone is CN(C)Cc1ccc(C(=O)N2CCN(c3cccs3)CC2)cc1.
What is the InChIKey of [4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone?
The InChIKey is AIAZTVRCSBCPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-19(2)14-15-5-7-16(8-6-15)18(22)21-11-9-20(10-12-21)17-4-3-13-23-17/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of [4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone?
[4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-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 [4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 122143430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).