N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide

C26H29FN4O2 — CID 169094730

IUPACN-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1
InChIInChI=1S/C26H29FN4O2/c27-22-6-8-23(9-7-22)29-26(32)20-12-14-30(15-13-20)24-10-4-19(5-11-24)21-17-28-31(18-21)25-3-1-2-16-33-25/h4-11,17-18,20,25H,1-3,12-16H2,(H,29,32)
InChIKeyPZDSQTMCUYSHKN-UHFFFAOYSA-N
MW448.54 g/mol
LogP5.24
Rot. Bonds5

About N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide

N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide (PubChem CID 169094730) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
PubChem CID169094730
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC NameN-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1
InChIInChI=1S/C26H29FN4O2/c27-22-6-8-23(9-7-22)29-26(32)20-12-14-30(15-13-20)24-10-4-19(5-11-24)21-17-28-31(18-21)25-3-1-2-16-33-25/h4-11,17-18,20,25H,1-3,12-16H2,(H,29,32)
InChIKeyPZDSQTMCUYSHKN-UHFFFAOYSA-N
XLogP5.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
CID 169094772
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 169094884
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate
CID 175453155
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine
CID 169094860
N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide
CID 169094668
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 42431836
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
CID 176914480
2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
CID 90595794
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
2-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-3,4-dihydroisoquinolin-1-one
CID 169094842

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide (CID 169094730) is N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(F)cc1)C1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide?
The InChIKey is PZDSQTMCUYSHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c27-22-6-8-23(9-7-22)29-26(32)20-12-14-30(15-13-20)24-10-4-19(5-11-24)21-17-28-31(18-21)25-3-1-2-16-33-25/h4-11,17-18,20,25H,1-3,12-16H2,(H,29,32).
What are the key properties of N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide?
N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 169094730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).