N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide

C14H19N3O2 — CID 104975759

IUPACN-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide
SMILESC[C@@H]1CN(CC(=O)NC(=O)c2ccccc2)CCN1
InChIInChI=1S/C14H19N3O2/c1-11-9-17(8-7-15-11)10-13(18)16-14(19)12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3,(H,16,18,19)/t11-/m1/s1
InChIKeyZFHWCNPWXFRDII-LLVKDONJSA-N
MW261.32 g/mol
LogP0.24
Rot. Bonds3

About N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide

N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide (PubChem CID 104975759) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide
PubChem CID104975759
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide
SMILESC[C@@H]1CN(CC(=O)NC(=O)c2ccccc2)CCN1
InChIInChI=1S/C14H19N3O2/c1-11-9-17(8-7-15-11)10-13(18)16-14(19)12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3,(H,16,18,19)/t11-/m1/s1
InChIKeyZFHWCNPWXFRDII-LLVKDONJSA-N
XLogP0.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide?
The IUPAC name of N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide (CID 104975759) is N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide.
What is the SMILES notation for N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide?
The canonical SMILES for N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide is C[C@@H]1CN(CC(=O)NC(=O)c2ccccc2)CCN1.
What is the InChIKey of N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide?
The InChIKey is ZFHWCNPWXFRDII-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-9-17(8-7-15-11)10-13(18)16-14(19)12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3,(H,16,18,19)/t11-/m1/s1.
What are the key properties of N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide?
N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide has a molecular weight of 261.32 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide is sourced from PubChem (CID 104975759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).