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

C25H31FN2O2 — CID 48830232

IUPAC1-benzyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H31FN2O2/c26-23-8-6-22(7-9-23)25(12-16-30-17-13-25)19-27-24(29)21-10-14-28(15-11-21)18-20-4-2-1-3-5-20/h1-9,21H,10-19H2,(H,27,29)
InChIKeyAJSYWGPSZJNVFQ-UHFFFAOYSA-N
MW410.53 g/mol
LogP3.90
Rot. Bonds6

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

1-benzyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 48830232) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 1-benzyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-4-carboxamide
PubChem CID48830232
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC Name1-benzyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H31FN2O2/c26-23-8-6-22(7-9-23)25(12-16-30-17-13-25)19-27-24(29)21-10-14-28(15-11-21)18-20-4-2-1-3-5-20/h1-9,21H,10-19H2,(H,27,29)
InChIKeyAJSYWGPSZJNVFQ-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-8-(4-phenyl-tetrahydro-pyran-4-yl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11429237
3-(4-fluorophenyl)-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]acrylamide
CID 1212752
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 54752457
1-benzyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide
CID 54752459
1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide
CID 56658275
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 56661772
N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 56665221
1-benzyl-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]piperidine-4-carboxamide
CID 56668677
1-benzyl-N-[2-(4-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide
CID 56675544
1-benzyl-N-{[1-(4-fluorophenyl)cyclopentyl]methyl}piperidine-4-carboxamide
CID 56678875
1-benzyl-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 56682190
4-Phenyl-8-(3-phenyl-tetrahydro-pyran-3-yl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11257803

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-4-carboxamide (CID 48830232) is 1-benzyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-4-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCOCC1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is AJSYWGPSZJNVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c26-23-8-6-22(7-9-23)25(12-16-30-17-13-25)19-27-24(29)21-10-14-28(15-11-21)18-20-4-2-1-3-5-20/h1-9,21H,10-19H2,(H,27,29).
What are the key properties of 1-benzyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-4-carboxamide?
1-benzyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 410.53 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 48830232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).