2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide

C27H28FN3O2 — CID 93324162

IUPAC2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C27H28FN3O2/c1-19(20-8-3-2-4-9-20)29-27(33)24-12-5-6-13-25(24)31-16-14-23(15-17-31)30-26(32)21-10-7-11-22(28)18-21/h2-13,18-19,23H,14-17H2,1H3,(H,29,33)(H,30,32)/t19-/m0/s1
InChIKeyCKFBMLZQTGPMQM-IBGZPJMESA-N
MW445.54 g/mol
LogP4.72
Rot. Bonds6

About 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide

2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 93324162) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID93324162
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC Name2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C27H28FN3O2/c1-19(20-8-3-2-4-9-20)29-27(33)24-12-5-6-13-25(24)31-16-14-23(15-17-31)30-26(32)21-10-7-11-22(28)18-21/h2-13,18-19,23H,14-17H2,1H3,(H,29,33)(H,30,32)/t19-/m0/s1
InChIKeyCKFBMLZQTGPMQM-IBGZPJMESA-N
XLogP4.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93324204
2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
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
3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93290995
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide
CID 93324251
2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93324345
N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
CID 42848136
2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93291002
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324177
2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324060

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide (CID 93324162) is 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is CKFBMLZQTGPMQM-IBGZPJMESA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-19(20-8-3-2-4-9-20)29-27(33)24-12-5-6-13-25(24)31-16-14-23(15-17-31)30-26(32)21-10-7-11-22(28)18-21/h2-13,18-19,23H,14-17H2,1H3,(H,29,33)(H,30,32)/t19-/m0/s1.
What are the key properties of 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide?
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 445.54 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 93324162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).