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

C20H29FN2O3 — CID 71635208

IUPACtert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate
SMILESCCN(Cc1ccc(F)cc1)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H29FN2O3/c1-5-22(13-15-8-10-17(21)11-9-15)18(24)16-7-6-12-23(14-16)19(25)26-20(2,3)4/h8-11,16H,5-7,12-14H2,1-4H3
InChIKeyYXPXPIQSNIUQTC-UHFFFAOYSA-N
MW364.46 g/mol
LogP3.82
Rot. Bonds4

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

tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 71635208) has the molecular formula C20H29FN2O3 and a molecular weight of 364.46 g/mol. Its IUPAC name is tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate
PubChem CID71635208
Molecular FormulaC20H29FN2O3
Molecular Weight364.46 g/mol
Exact Mass364.22
IUPAC Nametert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate
SMILESCCN(Cc1ccc(F)cc1)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H29FN2O3/c1-5-22(13-15-8-10-17(21)11-9-15)18(24)16-7-6-12-23(14-16)19(25)26-20(2,3)4/h8-11,16H,5-7,12-14H2,1-4H3
InChIKeyYXPXPIQSNIUQTC-UHFFFAOYSA-N
XLogP3.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-[(4-cyanophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate
CID 97177316
tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate
CID 55462555
tert-butyl (3S)-3-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate
CID 38370609
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
tert-butyl (3S)-3-[(4-bromophenyl)methyl-cyclopropylcarbamoyl]piperidine-1-carboxylate
CID 97171675
tert-butyl (3R)-3-[methyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 156710383
N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344215
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
tert-butyl (3S)-3-[(4-fluorophenyl)methylsulfonyl-methylamino]piperidine-1-carboxylate
CID 97166871
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55761312
tert-butyl 3-[[2-(4-fluorophenyl)ethylamino]methyl]piperidine-1-carboxylate
CID 113239051
tert-butyl (2S)-2-[(4-bromophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate
CID 97177305

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate (CID 71635208) is tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate is CCN(Cc1ccc(F)cc1)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is YXPXPIQSNIUQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O3/c1-5-22(13-15-8-10-17(21)11-9-15)18(24)16-7-6-12-23(14-16)19(25)26-20(2,3)4/h8-11,16H,5-7,12-14H2,1-4H3.
What are the key properties of tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 364.46 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 71635208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).