ethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate

C20H28FN3O3 — CID 57398164

IUPACethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)CC1
InChIInChI=1S/C20H28FN3O3/c1-2-27-20(26)23-11-8-18(9-12-23)24-10-4-7-17(14-24)22-19(25)15-5-3-6-16(21)13-15/h3,5-6,13,17-18H,2,4,7-12,14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyOYZLCGDWJHDELT-QGZVFWFLSA-N
MW377.46 g/mol
LogP2.64
Rot. Bonds4

About ethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 57398164) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is ethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
PubChem CID57398164
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Nameethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)CC1
InChIInChI=1S/C20H28FN3O3/c1-2-27-20(26)23-11-8-18(9-12-23)24-10-4-7-17(14-24)22-19(25)15-5-3-6-16(21)13-15/h3,5-6,13,17-18H,2,4,7-12,14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyOYZLCGDWJHDELT-QGZVFWFLSA-N
XLogP2.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate (CID 57398164) is ethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)CC1.
What is the InChIKey of ethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is OYZLCGDWJHDELT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-2-27-20(26)23-11-8-18(9-12-23)24-10-4-7-17(14-24)22-19(25)15-5-3-6-16(21)13-15/h3,5-6,13,17-18H,2,4,7-12,14H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of ethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 377.46 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3R)-3-[(3-fluorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 57398164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).