(4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone

C12H18N2OS — CID 764856

IUPAC(4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESCC(C)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C12H18N2OS/c1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeyZEVVAPJSMUTCRY-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.91
Rot. Bonds2

About (4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone

(4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone (PubChem CID 764856) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
PubChem CID764856
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESCC(C)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C12H18N2OS/c1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeyZEVVAPJSMUTCRY-UHFFFAOYSA-N
XLogP1.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
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Thiophene-2-carboxylic acid, morpholide
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(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
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N1-methyl-N4-[5-(thien-2-yl)-thien-2-oyl)piperazine
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N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
Thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4779966
N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide
CID 5201242
N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-carboxamide
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N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone (CID 764856) is (4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone is CC(C)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is ZEVVAPJSMUTCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone?
(4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 238.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 764856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).