tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate

C18H25FN2O3 — CID 10544841

IUPACtert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C18H25FN2O3/c1-18(2,3)24-17(23)21-10-5-4-9-15(21)16(22)20-12-13-7-6-8-14(19)11-13/h6-8,11,15H,4-5,9-10,12H2,1-3H3,(H,20,22)
InChIKeyGWLBEFHADVRDIZ-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.23
Rot. Bonds3

About tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate

tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 10544841) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
PubChem CID10544841
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Nametert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C18H25FN2O3/c1-18(2,3)24-17(23)21-10-5-4-9-15(21)16(22)20-12-13-7-6-8-14(19)11-13/h6-8,11,15H,4-5,9-10,12H2,1-3H3,(H,20,22)
InChIKeyGWLBEFHADVRDIZ-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 70053161
tert-butyl (2R)-2-[(3-chloro-4-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 52855119
tert-butyl (2S)-2-[(2,6-dichlorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 97173160
tert-butyl 2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 123227667
tert-butyl (2R)-2-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 97167079
tert-butyl (2S)-2-[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 97173146
tert-butyl (2S)-2-[(2-chloro-6-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 97173162
tert-butyl 2-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 46404764
tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 98990393
tert-butyl 2-[(3,4-dimethoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 4826015
N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170578293
tert-butyl 2-[(2-bromophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 69248323

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate (CID 10544841) is tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C(=O)NCc1cccc(F)c1.
What is the InChIKey of tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is GWLBEFHADVRDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-18(2,3)24-17(23)21-10-5-4-9-15(21)16(22)20-12-13-7-6-8-14(19)11-13/h6-8,11,15H,4-5,9-10,12H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 10544841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).