(2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C13H20N2OS — CID 123422305

IUPAC(2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESC=C1CC=C(C(=O)N2CCN(C(C)C)CC2)S1
InChIInChI=1S/C13H20N2OS/c1-10(2)14-6-8-15(9-7-14)13(16)12-5-4-11(3)17-12/h5,10H,3-4,6-9H2,1-2H3
InChIKeyCKMDQBDTPLOYNT-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.07
Rot. Bonds2

About (2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 123422305) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID123422305
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESC=C1CC=C(C(=O)N2CCN(C(C)C)CC2)S1
InChIInChI=1S/C13H20N2OS/c1-10(2)14-6-8-15(9-7-14)13(16)12-5-4-11(3)17-12/h5,10H,3-4,6-9H2,1-2H3
InChIKeyCKMDQBDTPLOYNT-UHFFFAOYSA-N
XLogP2.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydrothiophen-5-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 70216827
(4-methylpiperazin-1-yl)-(4H-thiopyran-2-yl)methanone
CID 144073798
(6-ethyl-4H-thiopyran-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 144281528
(E)-1-(3-methylthiomorpholin-4-yl)pent-2-en-1-one
CID 131234104
(E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one
CID 169127737

Frequently Asked Questions

What is the IUPAC name of (2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 123422305) is (2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is C=C1CC=C(C(=O)N2CCN(C(C)C)CC2)S1.
What is the InChIKey of (2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is CKMDQBDTPLOYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10(2)14-6-8-15(9-7-14)13(16)12-5-4-11(3)17-12/h5,10H,3-4,6-9H2,1-2H3.
What are the key properties of (2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 252.38 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylidene-3H-thiophen-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 123422305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).