tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate

C17H23FN2O3 — CID 42053071

IUPACtert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O3/c1-17(2,3)23-16(22)20-10-4-5-12(11-20)15(21)19-14-8-6-13(18)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyYKDBRSJEDFCLED-LBPRGKRZSA-N
MW322.38 g/mol
LogP3.41
Rot. Bonds2

About tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate

tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 42053071) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID42053071
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Nametert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O3/c1-17(2,3)23-16(22)20-10-4-5-12(11-20)15(21)19-14-8-6-13(18)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyYKDBRSJEDFCLED-LBPRGKRZSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24513638
tert-butyl 3-[(4-fluoro-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 122513398
tert-butyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 84555141
tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55960977
tert-butyl 3-[(4-butoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554251
tert-butyl 3-[(4-bromo-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554271
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
tert-butyl 3-[[4-(benzylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 45280915
tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 51255258
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
tert-butyl 3-[[1-(2-methoxy-2-oxoethyl)-6-oxo-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 169214190
tert-butyl 3-[(1-methylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 18152683

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate (CID 42053071) is tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is YKDBRSJEDFCLED-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-17(2,3)23-16(22)20-10-4-5-12(11-20)15(21)19-14-8-6-13(18)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 322.38 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 42053071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).