(4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone

C23H28N2OS — CID 90566854

IUPAC(4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCN(C2CC2)CC1c1ccccc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C23H28N2OS/c26-22(23(12-4-5-13-23)21-9-6-16-27-21)25-15-14-24(19-10-11-19)17-20(25)18-7-2-1-3-8-18/h1-3,6-9,16,19-20H,4-5,10-15,17H2
InChIKeyJYQAXMKGKSFPOV-UHFFFAOYSA-N
MW380.56 g/mol
LogP4.61
Rot. Bonds4

About (4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone

(4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 90566854) has the molecular formula C23H28N2OS and a molecular weight of 380.56 g/mol. Its IUPAC name is (4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID90566854
Molecular FormulaC23H28N2OS
Molecular Weight380.56 g/mol
Exact Mass380.19
IUPAC Name(4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCN(C2CC2)CC1c1ccccc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C23H28N2OS/c26-22(23(12-4-5-13-23)21-9-6-16-27-21)25-15-14-24(19-10-11-19)17-20(25)18-7-2-1-3-8-18/h1-3,6-9,16,19-20H,4-5,10-15,17H2
InChIKeyJYQAXMKGKSFPOV-UHFFFAOYSA-N
XLogP4.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of (4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone (CID 90566854) is (4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for (4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for (4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone is O=C(N1CCN(C2CC2)CC1c1ccccc1)C1(c2cccs2)CCCC1.
What is the InChIKey of (4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is JYQAXMKGKSFPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2OS/c26-22(23(12-4-5-13-23)21-9-6-16-27-21)25-15-14-24(19-10-11-19)17-20(25)18-7-2-1-3-8-18/h1-3,6-9,16,19-20H,4-5,10-15,17H2.
What are the key properties of (4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 380.56 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 90566854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).