2-formamido-N-(4-methylpiperazin-1-yl)benzamide

C13H18N4O2 — CID 168653894

IUPAC2-formamido-N-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(NC(=O)c2ccccc2NC=O)CC1
InChIInChI=1S/C13H18N4O2/c1-16-6-8-17(9-7-16)15-13(19)11-4-2-3-5-12(11)14-10-18/h2-5,10H,6-9H2,1H3,(H,14,18)(H,15,19)
InChIKeyINBOAHIJNANKLN-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.15
Rot. Bonds4

About 2-formamido-N-(4-methylpiperazin-1-yl)benzamide

2-formamido-N-(4-methylpiperazin-1-yl)benzamide (PubChem CID 168653894) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-formamido-N-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2-formamido-N-(4-methylpiperazin-1-yl)benzamide
PubChem CID168653894
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-formamido-N-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(NC(=O)c2ccccc2NC=O)CC1
InChIInChI=1S/C13H18N4O2/c1-16-6-8-17(9-7-16)15-13(19)11-4-2-3-5-12(11)14-10-18/h2-5,10H,6-9H2,1H3,(H,14,18)(H,15,19)
InChIKeyINBOAHIJNANKLN-UHFFFAOYSA-N
XLogP0.15
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-(4-methylpiperazin-1-yl)benzamide
CID 110463540
2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 82546934
3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 110463774
3-amino-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83013438
methyl 2-[(4-methylpiperazin-1-yl)carbamoylamino]benzoate
CID 971531
2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 110475168
2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
CID 9204739
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
2-chloro-N-(4-methylpiperazin-1-yl)furan-3-carboxamide
CID 106687134
N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 8888927
2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83016178
N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 9204822

Frequently Asked Questions

What is the IUPAC name of 2-formamido-N-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 2-formamido-N-(4-methylpiperazin-1-yl)benzamide (CID 168653894) is 2-formamido-N-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 2-formamido-N-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 2-formamido-N-(4-methylpiperazin-1-yl)benzamide is CN1CCN(NC(=O)c2ccccc2NC=O)CC1.
What is the InChIKey of 2-formamido-N-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is INBOAHIJNANKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16-6-8-17(9-7-16)15-13(19)11-4-2-3-5-12(11)14-10-18/h2-5,10H,6-9H2,1H3,(H,14,18)(H,15,19).
What are the key properties of 2-formamido-N-(4-methylpiperazin-1-yl)benzamide?
2-formamido-N-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 262.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-N-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 168653894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).