3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

C19H23F2N5O2 — CID 39539519

IUPAC3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCN(c2ncccn2)CC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H23F2N5O2/c20-18(21)28-16-5-1-4-15(14-16)17(27)22-8-3-9-25-10-12-26(13-11-25)19-23-6-2-7-24-19/h1-2,4-7,14,18H,3,8-13H2,(H,22,27)
InChIKeyZMXBRTZINHTGJG-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.02
Rot. Bonds8

About 3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide (PubChem CID 39539519) has the molecular formula C19H23F2N5O2 and a molecular weight of 391.42 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
PubChem CID39539519
Molecular FormulaC19H23F2N5O2
Molecular Weight391.42 g/mol
Exact Mass391.18
IUPAC Name3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCN(c2ncccn2)CC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H23F2N5O2/c20-18(21)28-16-5-1-4-15(14-16)17(27)22-8-3-9-25-10-12-26(13-11-25)19-23-6-2-7-24-19/h1-2,4-7,14,18H,3,8-13H2,(H,22,27)
InChIKeyZMXBRTZINHTGJG-UHFFFAOYSA-N
XLogP2.02
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
methyl 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]benzoate
CID 55824435
3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 119901319
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 31413320
3-(methoxymethyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39540479
4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539439
N-(5-chloropentyl)-3-(difluoromethoxy)benzamide
CID 107321329
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39541337
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-1-carboxamide
CID 31413484
2-bromo-5-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539971
1-[2-(2,6-difluorophenyl)ethyl]-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 55923113
N-tert-butyl-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoylamino]benzamide
CID 55819289

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide (CID 39539519) is 3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide is O=C(NCCCN1CCN(c2ncccn2)CC1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide?
The InChIKey is ZMXBRTZINHTGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O2/c20-18(21)28-16-5-1-4-15(14-16)17(27)22-8-3-9-25-10-12-26(13-11-25)19-23-6-2-7-24-19/h1-2,4-7,14,18H,3,8-13H2,(H,22,27).
What are the key properties of 3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide?
3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide has a molecular weight of 391.42 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 39539519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).