2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone

C21H24N2O3S — CID 51897971

IUPAC2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3cccs3)CC2)cc1
InChIInChI=1S/C21H24N2O3S/c1-26-16-6-4-15(5-7-16)13-20(24)22-8-10-23(11-9-22)21(25)18-14-17(18)19-3-2-12-27-19/h2-7,12,17-18H,8-11,13-14H2,1H3/t17-,18+/m1/s1
InChIKeyYUISUKCJJFCDPP-MSOLQXFVSA-N
MW384.50 g/mol
LogP2.77
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone (PubChem CID 51897971) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
PubChem CID51897971
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3cccs3)CC2)cc1
InChIInChI=1S/C21H24N2O3S/c1-26-16-6-4-15(5-7-16)13-20(24)22-8-10-23(11-9-22)21(25)18-14-17(18)19-3-2-12-27-19/h2-7,12,17-18H,8-11,13-14H2,1H3/t17-,18+/m1/s1
InChIKeyYUISUKCJJFCDPP-MSOLQXFVSA-N
XLogP2.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

(4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681285
2-(2-chlorophenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896786
ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate
CID 51896985
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 51894534
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1R)-2-thiophen-2-ylcyclopropyl]methanone
CID 176521046
piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681274
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110364752
3-(4-methoxyphenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)propan-1-one
CID 90522107
(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-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 51896777

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone (CID 51897971) is 2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone is COc1ccc(CC(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3cccs3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
The InChIKey is YUISUKCJJFCDPP-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-26-16-6-4-15(5-7-16)13-20(24)22-8-10-23(11-9-22)21(25)18-14-17(18)19-3-2-12-27-19/h2-7,12,17-18H,8-11,13-14H2,1H3/t17-,18+/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone has a molecular weight of 384.50 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 51897971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).