ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate

C19H28FN3O2 — CID 45245692

IUPACethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCCC(Nc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H28FN3O2/c1-2-25-19(24)22-12-9-18(10-13-22)23-11-3-4-17(14-23)21-16-7-5-15(20)6-8-16/h5-8,17-18,21H,2-4,9-14H2,1H3
InChIKeyGHEJXCSFUQMTEB-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.32
Rot. Bonds4

About ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 45245692) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID45245692
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Nameethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCCC(Nc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C19H28FN3O2/c1-2-25-19(24)22-12-9-18(10-13-22)23-11-3-4-17(14-23)21-16-7-5-15(20)6-8-16/h5-8,17-18,21H,2-4,9-14H2,1H3
InChIKeyGHEJXCSFUQMTEB-UHFFFAOYSA-N
XLogP3.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 4-[(3S)-3-[(4-fluoro-2-methylbenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873779
ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate
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CID 113107632
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CID 75239371
ethyl 4-[(3S)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873778
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CID 75239369
ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 46872062
2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 56883388
ethyl 4-[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate (CID 45245692) is ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCCC(Nc3ccc(F)cc3)C2)CC1.
What is the InChIKey of ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is GHEJXCSFUQMTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-2-25-19(24)22-12-9-18(10-13-22)23-11-3-4-17(14-23)21-16-7-5-15(20)6-8-16/h5-8,17-18,21H,2-4,9-14H2,1H3.
What are the key properties of ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 349.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 45245692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).