N'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide

C23H29ClN4O2 — CID 167938428

IUPACN'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide
SMILESCC(CNC(=O)C(=O)N(C)Cc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29ClN4O2/c1-18(27-12-14-28(15-13-27)21-6-4-3-5-7-21)16-25-22(29)23(30)26(2)17-19-8-10-20(24)11-9-19/h3-11,18H,12-17H2,1-2H3,(H,25,29)
InChIKeyBCLNJRLWFYCCST-UHFFFAOYSA-N
MW428.96 g/mol
LogP2.63
Rot. Bonds6

About N'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide

N'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide (PubChem CID 167938428) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide
PubChem CID167938428
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC NameN'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide
SMILESCC(CNC(=O)C(=O)N(C)Cc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29ClN4O2/c1-18(27-12-14-28(15-13-27)21-6-4-3-5-7-21)16-25-22(29)23(30)26(2)17-19-8-10-20(24)11-9-19/h3-11,18H,12-17H2,1-2H3,(H,25,29)
InChIKeyBCLNJRLWFYCCST-UHFFFAOYSA-N
XLogP2.63
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 40954300
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
CID 42858943
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
2-[cyclopropyl(methyl)amino]-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 60504013
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
CID 108518852
3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55695053
1-(3,5-dichlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]thiourea
CID 55685131
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
1-[(4-chlorophenyl)methyl]-1,2-dimethyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111294150
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 55695000

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide (CID 167938428) is N'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide is CC(CNC(=O)C(=O)N(C)Cc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide?
The InChIKey is BCLNJRLWFYCCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-18(27-12-14-28(15-13-27)21-6-4-3-5-7-21)16-25-22(29)23(30)26(2)17-19-8-10-20(24)11-9-19/h3-11,18H,12-17H2,1-2H3,(H,25,29).
What are the key properties of N'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide?
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide has a molecular weight of 428.96 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]oxamide is sourced from PubChem (CID 167938428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).