ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate

C18H21F3N2O4 — CID 45232941

IUPACethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H21F3N2O4/c1-2-27-15(24)10-22-17(26)23-9-3-4-13(11-23)16(25)12-5-7-14(8-6-12)18(19,20)21/h5-8,13H,2-4,9-11H2,1H3,(H,22,26)
InChIKeyKIHCHHUPRPMMKC-UHFFFAOYSA-N
MW386.37 g/mol
LogP2.87
Rot. Bonds5

About ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate

ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate (PubChem CID 45232941) has the molecular formula C18H21F3N2O4 and a molecular weight of 386.37 g/mol. Its IUPAC name is ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate
PubChem CID45232941
Molecular FormulaC18H21F3N2O4
Molecular Weight386.37 g/mol
Exact Mass386.15
IUPAC Nameethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H21F3N2O4/c1-2-27-15(24)10-22-17(26)23-9-3-4-13(11-23)16(25)12-5-7-14(8-6-12)18(19,20)21/h5-8,13H,2-4,9-11H2,1H3,(H,22,26)
InChIKeyKIHCHHUPRPMMKC-UHFFFAOYSA-N
XLogP2.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 23723203
ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 26406608
ethyl 2-[[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]amino]acetate
CID 25377875
ethyl 2-[[3-(4-methoxy-2-methylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 45172649
2-amino-2-methyl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 72850239
N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
CID 45206398
ethyl 2-[[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]amino]acetate
CID 45212076
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 55320542
1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 25308165
ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470
ethyl 1-[N'-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993238
3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 42286062

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate (CID 45232941) is ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate?
The InChIKey is KIHCHHUPRPMMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O4/c1-2-27-15(24)10-22-17(26)23-9-3-4-13(11-23)16(25)12-5-7-14(8-6-12)18(19,20)21/h5-8,13H,2-4,9-11H2,1H3,(H,22,26).
What are the key properties of ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate has a molecular weight of 386.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 45232941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).