(2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone

C13H20N2OS — CID 82245066

IUPAC(2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESCC(C)C1CN(C(=O)c2cccs2)C(C)CN1
InChIInChI=1S/C13H20N2OS/c1-9(2)11-8-15(10(3)7-14-11)13(16)12-5-4-6-17-12/h4-6,9-11,14H,7-8H2,1-3H3
InChIKeyAJWXSMFNNKITBH-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.21
Rot. Bonds2

About (2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone

(2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone (PubChem CID 82245066) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
PubChem CID82245066
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESCC(C)C1CN(C(=O)c2cccs2)C(C)CN1
InChIInChI=1S/C13H20N2OS/c1-9(2)11-8-15(10(3)7-14-11)13(16)12-5-4-6-17-12/h4-6,9-11,14H,7-8H2,1-3H3
InChIKeyAJWXSMFNNKITBH-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705304
[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705008
[5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82246938
2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide
CID 82246217
[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2896965
(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-thiophen-2-ylmethanone
CID 78992376
N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide
CID 82243819
[(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-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116680820
(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 25283897
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(thiophen-2-yl)methanone
CID 66212768
(2-methylpiperidin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 17224089

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone (CID 82245066) is (2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone is CC(C)C1CN(C(=O)c2cccs2)C(C)CN1.
What is the InChIKey of (2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is AJWXSMFNNKITBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)11-8-15(10(3)7-14-11)13(16)12-5-4-6-17-12/h4-6,9-11,14H,7-8H2,1-3H3.
What are the key properties of (2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
(2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 252.38 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 82245066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).