N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide

C19H21FN4O2 — CID 86196707

IUPACN-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide
SMILESO=CN(CCN1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccnc1
InChIInChI=1S/C19H21FN4O2/c20-17-5-3-16(4-6-17)19(26)23-11-8-22(9-12-23)10-13-24(15-25)18-2-1-7-21-14-18/h1-7,14-15H,8-13H2
InChIKeyPEOYRIHEGLHKQV-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.64
Rot. Bonds6

About N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide

N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide (PubChem CID 86196707) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide
PubChem CID86196707
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide
SMILESO=CN(CCN1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccnc1
InChIInChI=1S/C19H21FN4O2/c20-17-5-3-16(4-6-17)19(26)23-11-8-22(9-12-23)10-13-24(15-25)18-2-1-7-21-14-18/h1-7,14-15H,8-13H2
InChIKeyPEOYRIHEGLHKQV-UHFFFAOYSA-N
XLogP1.64
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide?
The IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide (CID 86196707) is N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide.
What is the SMILES notation for N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide?
The canonical SMILES for N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide is O=CN(CCN1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccnc1.
What is the InChIKey of N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide?
The InChIKey is PEOYRIHEGLHKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-17-5-3-16(4-6-17)19(26)23-11-8-22(9-12-23)10-13-24(15-25)18-2-1-7-21-14-18/h1-7,14-15H,8-13H2.
What are the key properties of N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide?
N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide has a molecular weight of 356.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-N-pyridin-3-ylformamide is sourced from PubChem (CID 86196707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).