[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone

C20H25N3OS — CID 660306

IUPAC[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H25N3OS/c24-20(19-7-4-16-25-19)23-10-8-18(9-11-23)22-14-12-21(13-15-22)17-5-2-1-3-6-17/h1-7,16,18H,8-15H2
InChIKeyLAOMZLZBSKUJDY-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.17
Rot. Bonds3

About [4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone

[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 660306) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is [4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID660306
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H25N3OS/c24-20(19-7-4-16-25-19)23-10-8-18(9-11-23)22-14-12-21(13-15-22)17-5-2-1-3-6-17/h1-7,16,18H,8-15H2
InChIKeyLAOMZLZBSKUJDY-UHFFFAOYSA-N
XLogP3.17
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 660306) is [4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of [4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is LAOMZLZBSKUJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c24-20(19-7-4-16-25-19)23-10-8-18(9-11-23)22-14-12-21(13-15-22)17-5-2-1-3-6-17/h1-7,16,18H,8-15H2.
What are the key properties of [4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 355.51 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 660306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).