3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide

C27H27F2N3O2 — CID 93324204

IUPAC3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1N1CCC(NC(=O)c2cc(F)cc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C27H27F2N3O2/c1-18(19-7-3-2-4-8-19)30-27(34)24-9-5-6-10-25(24)32-13-11-23(12-14-32)31-26(33)20-15-21(28)17-22(29)16-20/h2-10,15-18,23H,11-14H2,1H3,(H,30,34)(H,31,33)/t18-/m0/s1
InChIKeyATPUXTSJCPFMPS-SFHVURJKSA-N
MW463.53 g/mol
LogP4.85
Rot. Bonds6

About 3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide

3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide (PubChem CID 93324204) has the molecular formula C27H27F2N3O2 and a molecular weight of 463.53 g/mol. Its IUPAC name is 3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
PubChem CID93324204
Molecular FormulaC27H27F2N3O2
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1N1CCC(NC(=O)c2cc(F)cc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C27H27F2N3O2/c1-18(19-7-3-2-4-8-19)30-27(34)24-9-5-6-10-25(24)32-13-11-23(12-14-32)31-26(33)20-15-21(28)17-22(29)16-20/h2-10,15-18,23H,11-14H2,1H3,(H,30,34)(H,31,33)/t18-/m0/s1
InChIKeyATPUXTSJCPFMPS-SFHVURJKSA-N
XLogP4.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 93324162
2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93290995
2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93324345
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
2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93291002
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide
CID 46037468
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide
CID 46037981
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

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide?
The IUPAC name of 3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide (CID 93324204) is 3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide is C[C@H](NC(=O)c1ccccc1N1CCC(NC(=O)c2cc(F)cc(F)c2)CC1)c1ccccc1.
What is the InChIKey of 3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide?
The InChIKey is ATPUXTSJCPFMPS-SFHVURJKSA-N. The full InChI is InChI=1S/C27H27F2N3O2/c1-18(19-7-3-2-4-8-19)30-27(34)24-9-5-6-10-25(24)32-13-11-23(12-14-32)31-26(33)20-15-21(28)17-22(29)16-20/h2-10,15-18,23H,11-14H2,1H3,(H,30,34)(H,31,33)/t18-/m0/s1.
What are the key properties of 3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide?
3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide has a molecular weight of 463.53 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 93324204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).