5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide

C22H25Cl2N3O2S — CID 118112530

IUPAC5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccc(CN2CCN(C3CCCC3)C(=O)C2)s1
InChIInChI=1S/C22H25Cl2N3O2S/c23-16-6-5-15(19(24)11-16)12-25-22(29)20-8-7-18(30-20)13-26-9-10-27(21(28)14-26)17-3-1-2-4-17/h5-8,11,17H,1-4,9-10,12-14H2,(H,25,29)
InChIKeyQOOSJYAMUAZEGX-UHFFFAOYSA-N
MW466.43 g/mol
LogP4.57
Rot. Bonds6

About 5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide

5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide (PubChem CID 118112530) has the molecular formula C22H25Cl2N3O2S and a molecular weight of 466.43 g/mol. Its IUPAC name is 5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide
PubChem CID118112530
Molecular FormulaC22H25Cl2N3O2S
Molecular Weight466.43 g/mol
Exact Mass465.10
IUPAC Name5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccc(CN2CCN(C3CCCC3)C(=O)C2)s1
InChIInChI=1S/C22H25Cl2N3O2S/c23-16-6-5-15(19(24)11-16)12-25-22(29)20-8-7-18(30-20)13-26-9-10-27(21(28)14-26)17-3-1-2-4-17/h5-8,11,17H,1-4,9-10,12-14H2,(H,25,29)
InChIKeyQOOSJYAMUAZEGX-UHFFFAOYSA-N
XLogP4.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44224132
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N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
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US9776991, Example 3
CID 118112541
2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide
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2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
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CID 24793010
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CID 25161511
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Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide (CID 118112530) is 5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CN2CCN(C3CCCC3)C(=O)C2)s1.
What is the InChIKey of 5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide?
The InChIKey is QOOSJYAMUAZEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2S/c23-16-6-5-15(19(24)11-16)12-25-22(29)20-8-7-18(30-20)13-26-9-10-27(21(28)14-26)17-3-1-2-4-17/h5-8,11,17H,1-4,9-10,12-14H2,(H,25,29).
What are the key properties of 5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide?
5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide has a molecular weight of 466.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclopentyl-3-oxopiperazin-1-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 118112530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).