(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone

C17H20N2OS — CID 110602244

IUPAC(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESCC1CN(C(=O)c2cccs2)CC(C)N1c1ccccc1
InChIInChI=1S/C17H20N2OS/c1-13-11-18(17(20)16-9-6-10-21-16)12-14(2)19(13)15-7-4-3-5-8-15/h3-10,13-14H,11-12H2,1-2H3
InChIKeyGNONFMVNLINFAI-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.49
Rot. Bonds2

About (3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone

(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone (PubChem CID 110602244) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone
PubChem CID110602244
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESCC1CN(C(=O)c2cccs2)CC(C)N1c1ccccc1
InChIInChI=1S/C17H20N2OS/c1-13-11-18(17(20)16-9-6-10-21-16)12-14(2)19(13)15-7-4-3-5-8-15/h3-10,13-14H,11-12H2,1-2H3
InChIKeyGNONFMVNLINFAI-UHFFFAOYSA-N
XLogP3.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2896965
2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116680820
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510999
4-[[(2S,6R)-2,6-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzoic acid
CID 135259823
[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110658125
[(3aS,6aR)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 97457824
(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone
CID 110644128
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(thiophen-2-yl)methanone
CID 66212768
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 73440059
cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone
CID 110413099
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone (CID 110602244) is (3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone is CC1CN(C(=O)c2cccs2)CC(C)N1c1ccccc1.
What is the InChIKey of (3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is GNONFMVNLINFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-11-18(17(20)16-9-6-10-21-16)12-14(2)19(13)15-7-4-3-5-8-15/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of (3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone?
(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 300.43 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 110602244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).