tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate

C18H25FN2O3 — CID 17421893

IUPACtert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(F)cc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H25FN2O3/c1-12-5-6-14(19)11-15(12)20-16(22)13-7-9-21(10-8-13)17(23)24-18(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,20,22)
InChIKeyNZGPJGHXGPPZOJ-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.72
Rot. Bonds2

About tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 17421893) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID17421893
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Nametert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(F)cc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H25FN2O3/c1-12-5-6-14(19)11-15(12)20-16(22)13-7-9-21(10-8-13)17(23)24-18(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,20,22)
InChIKeyNZGPJGHXGPPZOJ-UHFFFAOYSA-N
XLogP3.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 9209463
tert-butyl 4-[(2-bromo-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 166607251
tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
tert-butyl 4-[(2-fluoro-4-nitrophenyl)carbamoyl]piperidine-1-carboxylate
CID 164719670
tert-butyl 3-(4-fluoro-2-methylbenzoyl)pyrrolidine-1-carboxylate
CID 107091958
tert-butyl 4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9257484
tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9039069
tert-butyl 4-[[4-(2-methoxy-2-oxoethoxy)-2-methylphenyl]carbamoyl]piperidine-1-carboxylate
CID 55978423
tert-butyl 4-[(3-fluoro-5-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 146484876
tert-butyl (3S,4R)-4-(4-fluoro-2-methylanilino)-3-methylpiperidine-1-carboxylate
CID 169122724
N-(5-fluoro-2-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26410449
N-(5-chloro-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224385

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate (CID 17421893) is tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate is Cc1ccc(F)cc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is NZGPJGHXGPPZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-12-5-6-14(19)11-15(12)20-16(22)13-7-9-21(10-8-13)17(23)24-18(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 17421893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).