2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

C19H22N4O2 — CID 119946776

IUPAC2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)c3ccccc3N)cc2)CC1
InChIInChI=1S/C19H22N4O2/c1-22-10-12-23(13-11-22)19(25)14-6-8-15(9-7-14)21-18(24)16-4-2-3-5-17(16)20/h2-9H,10-13,20H2,1H3,(H,21,24)
InChIKeyOWTPGUJWMNNLTP-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.91
Rot. Bonds3

About 2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 119946776) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID119946776
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)c3ccccc3N)cc2)CC1
InChIInChI=1S/C19H22N4O2/c1-22-10-12-23(13-11-22)19(25)14-6-8-15(9-7-14)21-18(24)16-4-2-3-5-17(16)20/h2-9H,10-13,20H2,1H3,(H,21,24)
InChIKeyOWTPGUJWMNNLTP-UHFFFAOYSA-N
XLogP1.91
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94915286
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157840
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 108763681
2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158103
3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide
CID 108805438
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619649
2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 110664380

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (CID 119946776) is 2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is CN1CCN(C(=O)c2ccc(NC(=O)c3ccccc3N)cc2)CC1.
What is the InChIKey of 2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is OWTPGUJWMNNLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-10-12-23(13-11-22)19(25)14-6-8-15(9-7-14)21-18(24)16-4-2-3-5-17(16)20/h2-9H,10-13,20H2,1H3,(H,21,24).
What are the key properties of 2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 119946776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).