N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide

C25H30F2N4O2 — CID 46037981

IUPACN-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide
SMILESCCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3cc(F)cc(F)c3)CC2)CC1
InChIInChI=1S/C25H30F2N4O2/c1-2-29-11-13-31(14-12-29)25(33)22-5-3-4-6-23(22)30-9-7-21(8-10-30)28-24(32)18-15-19(26)17-20(27)16-18/h3-6,15-17,21H,2,7-14H2,1H3,(H,28,32)
InChIKeyQQGFIFJOKFEOHW-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.14
Rot. Bonds5

About N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide

N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide (PubChem CID 46037981) has the molecular formula C25H30F2N4O2 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide
PubChem CID46037981
Molecular FormulaC25H30F2N4O2
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC NameN-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide
SMILESCCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3cc(F)cc(F)c3)CC2)CC1
InChIInChI=1S/C25H30F2N4O2/c1-2-29-11-13-31(14-12-29)25(33)22-5-3-4-6-23(22)30-9-7-21(8-10-30)28-24(32)18-15-19(26)17-20(27)16-18/h3-6,15-17,21H,2,7-14H2,1H3,(H,28,32)
InChIKeyQQGFIFJOKFEOHW-UHFFFAOYSA-N
XLogP3.14
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide
CID 42848245
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 75140869
N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide
CID 46038445
4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46156215
3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93324204
4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038111
3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide
CID 46037917
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide
CID 93324251
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-(3-methylbutan-2-yl)benzamide
CID 46037800
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324056
N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide
CID 42848378

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide?
The IUPAC name of N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide (CID 46037981) is N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide?
The canonical SMILES for N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide is CCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3cc(F)cc(F)c3)CC2)CC1.
What is the InChIKey of N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide?
The InChIKey is QQGFIFJOKFEOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O2/c1-2-29-11-13-31(14-12-29)25(33)22-5-3-4-6-23(22)30-9-7-21(8-10-30)28-24(32)18-15-19(26)17-20(27)16-18/h3-6,15-17,21H,2,7-14H2,1H3,(H,28,32).
What are the key properties of N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide?
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide has a molecular weight of 456.54 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide is sourced from PubChem (CID 46037981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).