1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide

C25H29FN4O2 — CID 24793276

IUPAC1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c(C)n1
InChIInChI=1S/C25H29FN4O2/c1-3-30-17-20(18(2)28-30)16-29-14-12-19(13-15-29)25(31)27-21-8-10-22(11-9-21)32-24-7-5-4-6-23(24)26/h4-11,17,19H,3,12-16H2,1-2H3,(H,27,31)
InChIKeyKDXXZHBZHFASCN-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.99
Rot. Bonds7

About 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide

1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide (PubChem CID 24793276) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
PubChem CID24793276
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c(C)n1
InChIInChI=1S/C25H29FN4O2/c1-3-30-17-20(18(2)28-30)16-29-14-12-19(13-15-29)25(31)27-21-8-10-22(11-9-21)32-24-7-5-4-6-23(24)26/h4-11,17,19H,3,12-16H2,1-2H3,(H,27,31)
InChIKeyKDXXZHBZHFASCN-UHFFFAOYSA-N
XLogP4.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide (CID 24793276) is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide is CCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c(C)n1.
What is the InChIKey of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is KDXXZHBZHFASCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-3-30-17-20(18(2)28-30)16-29-14-12-19(13-15-29)25(31)27-21-8-10-22(11-9-21)32-24-7-5-4-6-23(24)26/h4-11,17,19H,3,12-16H2,1-2H3,(H,27,31).
What are the key properties of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24793276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).