1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide

C24H27FN4O2 — CID 42452963

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1
InChIInChI=1S/C24H27FN4O2/c1-2-29-17-18(15-26-29)16-28-13-11-19(12-14-28)24(30)27-20-7-9-21(10-8-20)31-23-6-4-3-5-22(23)25/h3-10,15,17,19H,2,11-14,16H2,1H3,(H,27,30)
InChIKeyWTMSHJWNMXAAMG-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.69
Rot. Bonds7

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

1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide (PubChem CID 42452963) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
PubChem CID42452963
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1
InChIInChI=1S/C24H27FN4O2/c1-2-29-17-18(15-26-29)16-28-13-11-19(12-14-28)24(30)27-20-7-9-21(10-8-20)31-23-6-4-3-5-22(23)25/h3-10,15,17,19H,2,11-14,16H2,1H3,(H,27,30)
InChIKeyWTMSHJWNMXAAMG-UHFFFAOYSA-N
XLogP4.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide (CID 42452963) is 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide is CCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is WTMSHJWNMXAAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-2-29-17-18(15-26-29)16-28-13-11-19(12-14-28)24(30)27-20-7-9-21(10-8-20)31-23-6-4-3-5-22(23)25/h3-10,15,17,19H,2,11-14,16H2,1H3,(H,27,30).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 42452963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).