N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide

C21H26FN5O2 — CID 75462777

IUPACN-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide
SMILESCN(C)c1cc(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)ccn1
InChIInChI=1S/C21H26FN5O2/c1-25(2)19-15-16(7-8-23-19)21(29)27-13-11-26(12-14-27)10-9-24-20(28)17-5-3-4-6-18(17)22/h3-8,15H,9-14H2,1-2H3,(H,24,28)
InChIKeyKOMVHNZSJNJDFN-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.47
Rot. Bonds6

About N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide

N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide (PubChem CID 75462777) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide
PubChem CID75462777
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC NameN-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide
SMILESCN(C)c1cc(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)ccn1
InChIInChI=1S/C21H26FN5O2/c1-25(2)19-15-16(7-8-23-19)21(29)27-13-11-26(12-14-27)10-9-24-20(28)17-5-3-4-6-18(17)22/h3-8,15H,9-14H2,1-2H3,(H,24,28)
InChIKeyKOMVHNZSJNJDFN-UHFFFAOYSA-N
XLogP1.47
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 120848299
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
CID 110397771
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 107362791
2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide
CID 111488179
4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 154771495
2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide
CID 75467420
2-fluoro-N-[2-methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 39290700
2-fluoro-N-[2-methyl-5-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 56543165
2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide
CID 133372539
2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 4197807
3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea
CID 110397809

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide (CID 75462777) is N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide is CN(C)c1cc(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)ccn1.
What is the InChIKey of N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide?
The InChIKey is KOMVHNZSJNJDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c1-25(2)19-15-16(7-8-23-19)21(29)27-13-11-26(12-14-27)10-9-24-20(28)17-5-3-4-6-18(17)22/h3-8,15H,9-14H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide?
N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide has a molecular weight of 399.47 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 75462777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).