(4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone

C13H18N2OS — CID 110681285

IUPAC(4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
SMILESCN1CCN(C(=O)C2CC2c2cccs2)CC1
InChIInChI=1S/C13H18N2OS/c1-14-4-6-15(7-5-14)13(16)11-9-10(11)12-3-2-8-17-12/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyGQYAMYSKFIEZST-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.63
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone

(4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone (PubChem CID 110681285) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
PubChem CID110681285
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name(4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
SMILESCN1CCN(C(=O)C2CC2c2cccs2)CC1
InChIInChI=1S/C13H18N2OS/c1-14-4-6-15(7-5-14)13(16)11-9-10(11)12-3-2-8-17-12/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyGQYAMYSKFIEZST-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681274
ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate
CID 51896985
(4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681313
[4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 95967610
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681327
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 51896777
2-(2-chlorophenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896786
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1R)-2-thiophen-2-ylcyclopropyl]methanone
CID 176521046
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 51894534
2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51897971
[4-(4-phenyloxane-4-carbonyl)piperazin-1-yl]-[(1S,2S)-2-thiophen-2-ylcyclopropyl]methanone
CID 98915932
[4-(4-phenyloxane-4-carbonyl)piperazin-1-yl]-[(1R)-2-thiophen-2-ylcyclopropyl]methanone
CID 138391568

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone (CID 110681285) is (4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone is CN1CCN(C(=O)C2CC2c2cccs2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone?
The InChIKey is GQYAMYSKFIEZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-14-4-6-15(7-5-14)13(16)11-9-10(11)12-3-2-8-17-12/h2-3,8,10-11H,4-7,9H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone?
(4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone has a molecular weight of 250.37 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone is sourced from PubChem (CID 110681285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).