N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide

C27H26F2N2O — CID 10598845

IUPACN-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H26F2N2O/c28-24-10-6-20(7-11-24)26(21-8-12-25(29)13-9-21)22-14-17-31(18-15-22)19-16-30-27(32)23-4-2-1-3-5-23/h1-13H,14-19H2,(H,30,32)
InChIKeySUNBVGGKWJDQAM-UHFFFAOYSA-N
MW432.51 g/mol
LogP5.29
Rot. Bonds6

About N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide

N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide (PubChem CID 10598845) has the molecular formula C27H26F2N2O and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
PubChem CID10598845
Molecular FormulaC27H26F2N2O
Molecular Weight432.51 g/mol
Exact Mass432.20
IUPAC NameN-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H26F2N2O/c28-24-10-6-20(7-11-24)26(21-8-12-25(29)13-9-21)22-14-17-31(18-15-22)19-16-30-27(32)23-4-2-1-3-5-23/h1-13H,14-19H2,(H,30,32)
InChIKeySUNBVGGKWJDQAM-UHFFFAOYSA-N
XLogP5.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
CID 123768930
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200300
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
CID 139726411
4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide
CID 44962537
4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447831
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
CID 29196125
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide
CID 39052757
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
CID 29200089
3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47050208
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide?
The IUPAC name of N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide (CID 10598845) is N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide?
The InChIKey is SUNBVGGKWJDQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N2O/c28-24-10-6-20(7-11-24)26(21-8-12-25(29)13-9-21)22-14-17-31(18-15-22)19-16-30-27(32)23-4-2-1-3-5-23/h1-13H,14-19H2,(H,30,32).
What are the key properties of N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide?
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide has a molecular weight of 432.51 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 10598845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).