N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide

C19H22ClN3O2S — CID 120802620

IUPACN-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCNCC1c1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C19H22ClN3O2S/c1-13(24)22-16(18-6-3-9-26-18)11-19(25)23-8-7-21-12-17(23)14-4-2-5-15(20)10-14/h2-6,9-10,16-17,21H,7-8,11-12H2,1H3,(H,22,24)
InChIKeyKSOOKFOTRULCRO-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.14
Rot. Bonds5

About N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide

N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide (PubChem CID 120802620) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
PubChem CID120802620
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC NameN-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCNCC1c1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C19H22ClN3O2S/c1-13(24)22-16(18-6-3-9-26-18)11-19(25)23-8-7-21-12-17(23)14-4-2-5-15(20)10-14/h2-6,9-10,16-17,21H,7-8,11-12H2,1H3,(H,22,24)
InChIKeyKSOOKFOTRULCRO-UHFFFAOYSA-N
XLogP3.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride
CID 120733950
N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 42931938
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 120803481
N-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 63079022
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
[3-(2-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea;hydrochloride
CID 119471960
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
4-[2-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120802257
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120802347
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-propylsulfonylethanone
CID 120801882
N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 47024797

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide (CID 120802620) is N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide is CC(=O)NC(CC(=O)N1CCNCC1c1cccc(Cl)c1)c1cccs1.
What is the InChIKey of N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is KSOOKFOTRULCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-13(24)22-16(18-6-3-9-26-18)11-19(25)23-8-7-21-12-17(23)14-4-2-5-15(20)10-14/h2-6,9-10,16-17,21H,7-8,11-12H2,1H3,(H,22,24).
What are the key properties of N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 391.92 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 120802620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).