ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate

C23H25FN2O4 — CID 26406608

IUPACethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C23H25FN2O4/c1-2-30-21(27)14-25-23(29)26-12-6-9-18(15-26)22(28)17-10-11-19(20(24)13-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,2,6,9,12,14-15H2,1H3,(H,25,29)/t18-/m0/s1
InChIKeyIFNQNTCPUAESCI-SFHVURJKSA-N
MW412.46 g/mol
LogP3.66
Rot. Bonds6

About ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate

ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate (PubChem CID 26406608) has the molecular formula C23H25FN2O4 and a molecular weight of 412.46 g/mol. Its IUPAC name is ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate
PubChem CID26406608
Molecular FormulaC23H25FN2O4
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Nameethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C23H25FN2O4/c1-2-30-21(27)14-25-23(29)26-12-6-9-18(15-26)22(28)17-10-11-19(20(24)13-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,2,6,9,12,14-15H2,1H3,(H,25,29)/t18-/m0/s1
InChIKeyIFNQNTCPUAESCI-SFHVURJKSA-N
XLogP3.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate with MolForge

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Related Compounds

(3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide
CID 26393022
[2-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-2-oxoethyl]urea
CID 95709449
N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide
CID 45241693
ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate
CID 45232941
ethyl 2-[[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]amino]acetate
CID 25377875
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]ethanone
CID 45169691
ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 23723203
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-fluoro-4-phenylphenyl)methanone
CID 25283984
ethyl 2-[[3-(4-methoxy-2-methylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 45172649
(3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 25490028
1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 45206143
3-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-N-methylpropanamide
CID 95525253

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate (CID 26406608) is ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1.
What is the InChIKey of ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate?
The InChIKey is IFNQNTCPUAESCI-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25FN2O4/c1-2-30-21(27)14-25-23(29)26-12-6-9-18(15-26)22(28)17-10-11-19(20(24)13-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,2,6,9,12,14-15H2,1H3,(H,25,29)/t18-/m0/s1.
What are the key properties of ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate has a molecular weight of 412.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 26406608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).