[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone

C20H23ClN2OS — CID 39992497

IUPAC[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCN(Cc2ccc(-c3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C20H23ClN2OS/c21-17-6-4-15(5-7-17)19-9-8-18(25-19)14-22-10-12-23(13-11-22)20(24)16-2-1-3-16/h4-9,16H,1-3,10-14H2
InChIKeyLYPHBVBFKIIXTL-UHFFFAOYSA-N
MW374.94 g/mol
LogP4.51
Rot. Bonds4

About [4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone

[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone (PubChem CID 39992497) has the molecular formula C20H23ClN2OS and a molecular weight of 374.94 g/mol. Its IUPAC name is [4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
PubChem CID39992497
Molecular FormulaC20H23ClN2OS
Molecular Weight374.94 g/mol
Exact Mass374.12
IUPAC Name[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCN(Cc2ccc(-c3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C20H23ClN2OS/c21-17-6-4-15(5-7-17)19-9-8-18(25-19)14-22-10-12-23(13-11-22)20(24)16-2-1-3-16/h4-9,16H,1-3,10-14H2
InChIKeyLYPHBVBFKIIXTL-UHFFFAOYSA-N
XLogP4.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.94
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone (CID 39992497) is [4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone is O=C(C1CCC1)N1CCN(Cc2ccc(-c3ccc(Cl)cc3)s2)CC1.
What is the InChIKey of [4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
The InChIKey is LYPHBVBFKIIXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2OS/c21-17-6-4-15(5-7-17)19-9-8-18(25-19)14-22-10-12-23(13-11-22)20(24)16-2-1-3-16/h4-9,16H,1-3,10-14H2.
What are the key properties of [4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone has a molecular weight of 374.94 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 39992497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).