1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide

C24H29FN2O — CID 56682190

IUPAC1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29FN2O/c25-22-9-7-21(8-10-22)24(13-4-14-24)18-26-23(28)20-11-15-27(16-12-20)17-19-5-2-1-3-6-19/h1-3,5-10,20H,4,11-18H2,(H,26,28)
InChIKeyXEPRSBASNNOXNE-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.28
Rot. Bonds6

About 1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide

1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide (PubChem CID 56682190) has the molecular formula C24H29FN2O and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
PubChem CID56682190
Molecular FormulaC24H29FN2O
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29FN2O/c25-22-9-7-21(8-10-22)24(13-4-14-24)18-26-23(28)20-11-15-27(16-12-20)17-19-5-2-1-3-6-19/h1-3,5-10,20H,4,11-18H2,(H,26,28)
InChIKeyXEPRSBASNNOXNE-UHFFFAOYSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide (CID 56682190) is 1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCC1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide?
The InChIKey is XEPRSBASNNOXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O/c25-22-9-7-21(8-10-22)24(13-4-14-24)18-26-23(28)20-11-15-27(16-12-20)17-19-5-2-1-3-6-19/h1-3,5-10,20H,4,11-18H2,(H,26,28).
What are the key properties of 1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide?
1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56682190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).