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

C19H21N3O2 — CID 724204

IUPACN-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21N3O2/c1-21-11-13-22(14-12-21)19(24)16-9-5-6-10-17(16)20-18(23)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,23)
InChIKeyDDSVXYULRLRKFN-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.33
Rot. Bonds3

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

N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 724204) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID724204
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21N3O2/c1-21-11-13-22(14-12-21)19(24)16-9-5-6-10-17(16)20-18(23)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,23)
InChIKeyDDSVXYULRLRKFN-UHFFFAOYSA-N
XLogP2.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (CID 724204) is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is CN1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is DDSVXYULRLRKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-21-11-13-22(14-12-21)19(24)16-9-5-6-10-17(16)20-18(23)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 724204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).