[(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone

C24H28N2O2S — CID 51894500

IUPAC[(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone
SMILESO=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(C(=O)C2(c3cccs3)CCCC2)CC1
InChIInChI=1S/C24H28N2O2S/c27-22(20-17-19(20)18-7-2-1-3-8-18)25-12-14-26(15-13-25)23(28)24(10-4-5-11-24)21-9-6-16-29-21/h1-3,6-9,16,19-20H,4-5,10-15,17H2/t19-,20-/m1/s1
InChIKeyMEMUUJHBZVCSLK-WOJBJXKFSA-N
MW408.57 g/mol
LogP4.03
Rot. Bonds4

About [(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone

[(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone (PubChem CID 51894500) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is [(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone
PubChem CID51894500
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC Name[(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone
SMILESO=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(C(=O)C2(c3cccs3)CCCC2)CC1
InChIInChI=1S/C24H28N2O2S/c27-22(20-17-19(20)18-7-2-1-3-8-18)25-12-14-26(15-13-25)23(28)24(10-4-5-11-24)21-9-6-16-29-21/h1-3,6-9,16,19-20H,4-5,10-15,17H2/t19-,20-/m1/s1
InChIKeyMEMUUJHBZVCSLK-WOJBJXKFSA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42390617
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
(4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 29401178
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
piperazin-1-yl-(1-thiophen-2-ylcyclohexyl)methanone
CID 119402420
(2-phenylcyclopropyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 56819682
[4-(4-phenyloxane-4-carbonyl)piperazin-1-yl]-[(1R)-2-thiophen-2-ylcyclopropyl]methanone
CID 138391568
[4-(4-phenyloxane-4-carbonyl)piperazin-1-yl]-[(1S,2S)-2-thiophen-2-ylcyclopropyl]methanone
CID 98915932
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119519335
[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 97354893

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone (CID 51894500) is [(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone is O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(C(=O)C2(c3cccs3)CCCC2)CC1.
What is the InChIKey of [(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is MEMUUJHBZVCSLK-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H28N2O2S/c27-22(20-17-19(20)18-7-2-1-3-8-18)25-12-14-26(15-13-25)23(28)24(10-4-5-11-24)21-9-6-16-29-21/h1-3,6-9,16,19-20H,4-5,10-15,17H2/t19-,20-/m1/s1.
What are the key properties of [(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone?
[(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 408.57 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 51894500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).