N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide

C20H25ClN4O2S — CID 42389811

IUPACN-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1cccs1
InChIInChI=1S/C20H25ClN4O2S/c21-16-4-6-17(7-5-16)25-12-10-24(11-13-25)9-2-8-22-19(26)20(27)23-15-18-3-1-14-28-18/h1,3-7,14H,2,8-13,15H2,(H,22,26)(H,23,27)
InChIKeyWYDIIIQKWHDNOB-UHFFFAOYSA-N
MW420.97 g/mol
LogP2.35
Rot. Bonds7

About N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide

N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide (PubChem CID 42389811) has the molecular formula C20H25ClN4O2S and a molecular weight of 420.97 g/mol. Its IUPAC name is N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide
PubChem CID42389811
Molecular FormulaC20H25ClN4O2S
Molecular Weight420.97 g/mol
Exact Mass420.14
IUPAC NameN-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1cccs1
InChIInChI=1S/C20H25ClN4O2S/c21-16-4-6-17(7-5-16)25-12-10-24(11-13-25)9-2-8-22-19(26)20(27)23-15-18-3-1-14-28-18/h1,3-7,14H,2,8-13,15H2,(H,22,26)(H,23,27)
InChIKeyWYDIIIQKWHDNOB-UHFFFAOYSA-N
XLogP2.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.97
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389873
N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16892165
N'-(3-chloro-4-fluorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389821
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-methoxyphenyl)oxamide
CID 42389893
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-cyanophenyl)oxamide
CID 42389800
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 42224892
N'-(1,3-benzodioxol-5-yl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389792
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 11574139
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3,4-difluorobenzamide
CID 42273607

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide (CID 42389811) is N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide is O=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1cccs1.
What is the InChIKey of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide?
The InChIKey is WYDIIIQKWHDNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2S/c21-16-4-6-17(7-5-16)25-12-10-24(11-13-25)9-2-8-22-19(26)20(27)23-15-18-3-1-14-28-18/h1,3-7,14H,2,8-13,15H2,(H,22,26)(H,23,27).
What are the key properties of N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide?
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide has a molecular weight of 420.97 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 42389811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).