N-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide

C14H19ClN4O2 — CID 44995846

IUPACN-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCN1CCN(NC(=O)C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN4O2/c1-18-6-8-19(9-7-18)17-14(21)13(20)16-10-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3,(H,16,20)(H,17,21)
InChIKeyGSCHMFGZNICAMY-UHFFFAOYSA-N
MW310.78 g/mol
LogP0.23
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide

N-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide (PubChem CID 44995846) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide
PubChem CID44995846
Molecular FormulaC14H19ClN4O2
Molecular Weight310.78 g/mol
Exact Mass310.12
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCN1CCN(NC(=O)C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN4O2/c1-18-6-8-19(9-7-18)17-14(21)13(20)16-10-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3,(H,16,20)(H,17,21)
InChIKeyGSCHMFGZNICAMY-UHFFFAOYSA-N
XLogP0.23
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 29344019
3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 100590839
1-benzyl-3-(4-methylpiperazin-1-yl)urea
CID 107653207
1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea
CID 3626403
N-[(4-chlorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147370
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302036
N'-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]oxamide
CID 18574653
3-[4-chloro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 70046129
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methylpiperazin-1-yl)oxamide
CID 108506327
N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517042

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide (CID 44995846) is N-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide is CN1CCN(NC(=O)C(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide?
The InChIKey is GSCHMFGZNICAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-18-6-8-19(9-7-18)17-14(21)13(20)16-10-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3,(H,16,20)(H,17,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide?
N-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide has a molecular weight of 310.78 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-(4-methylpiperazin-1-yl)oxamide is sourced from PubChem (CID 44995846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).