methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate

C15H19FN2O3 — CID 110821770

IUPACmethyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H19FN2O3/c1-21-15(20)18-8-6-12(7-9-18)17-14(19)10-11-4-2-3-5-13(11)16/h2-5,12H,6-10H2,1H3,(H,17,19)
InChIKeyNQHFNURLSFUYTP-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.72
Rot. Bonds3

About methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate

methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 110821770) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
PubChem CID110821770
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Namemethyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H19FN2O3/c1-21-15(20)18-8-6-12(7-9-18)17-14(19)10-11-4-2-3-5-13(11)16/h2-5,12H,6-10H2,1H3,(H,17,19)
InChIKeyNQHFNURLSFUYTP-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[3-[(2-fluorophenyl)methylamino]-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108946231
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide
CID 49205489
methyl 4-[4-(2-fluorophenyl)butan-2-ylamino]piperidine-1-carboxylate
CID 86779454
2-(2-fluorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735879
ethyl 4-[[2-[(2-fluorophenyl)methylamino]-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531509
methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 86859520
N-(4-aminocyclohexyl)-2-(2-fluorophenyl)acetamide
CID 43653105
N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 110822805
ethyl 4-[[3-[(2-fluorophenyl)methylamino]-2,2-dimethyl-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108962409
ethyl 4-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]piperidine-1-carboxylate
CID 8991821
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate (CID 110821770) is methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)Cc2ccccc2F)CC1.
What is the InChIKey of methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is NQHFNURLSFUYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-21-15(20)18-8-6-12(7-9-18)17-14(19)10-11-4-2-3-5-13(11)16/h2-5,12H,6-10H2,1H3,(H,17,19).
What are the key properties of methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate?
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 294.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110821770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).