1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide

C21H39FN2O — CID 59455792

IUPAC1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide
SMILESCC(C)(C)CCN1CCC(F)(CNC(=O)C2(C(C)(C)C)CCC2)CC1
InChIInChI=1S/C21H39FN2O/c1-18(2,3)10-13-24-14-11-20(22,12-15-24)16-23-17(25)21(8-7-9-21)19(4,5)6/h7-16H2,1-6H3,(H,23,25)
InChIKeyVZRVJUFBYIUHOA-UHFFFAOYSA-N
MW354.55 g/mol
LogP4.56
Rot. Bonds5

About 1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide

1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide (PubChem CID 59455792) has the molecular formula C21H39FN2O and a molecular weight of 354.55 g/mol. Its IUPAC name is 1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide
PubChem CID59455792
Molecular FormulaC21H39FN2O
Molecular Weight354.55 g/mol
Exact Mass354.30
IUPAC Name1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide
SMILESCC(C)(C)CCN1CCC(F)(CNC(=O)C2(C(C)(C)C)CCC2)CC1
InChIInChI=1S/C21H39FN2O/c1-18(2,3)10-13-24-14-11-20(22,12-15-24)16-23-17(25)21(8-7-9-21)19(4,5)6/h7-16H2,1-6H3,(H,23,25)
InChIKeyVZRVJUFBYIUHOA-UHFFFAOYSA-N
XLogP4.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.55
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide (CID 59455792) is 1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide is CC(C)(C)CCN1CCC(F)(CNC(=O)C2(C(C)(C)C)CCC2)CC1.
What is the InChIKey of 1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide?
The InChIKey is VZRVJUFBYIUHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39FN2O/c1-18(2,3)10-13-24-14-11-20(22,12-15-24)16-23-17(25)21(8-7-9-21)19(4,5)6/h7-16H2,1-6H3,(H,23,25).
What are the key properties of 1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide?
1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide has a molecular weight of 354.55 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 59455792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).