N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide

C24H25FN4O2 — CID 95185907

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
SMILESC[C@@H](NC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H25FN4O2/c1-17(18-5-9-20(25)10-6-18)28-23(30)19-7-11-21(12-8-19)31-24-22(26-13-14-27-24)29-15-3-2-4-16-29/h5-14,17H,2-4,15-16H2,1H3,(H,28,30)/t17-/m1/s1
InChIKeyJWAIHJRDEBLEDQ-QGZVFWFLSA-N
MW420.49 g/mol
LogP4.89
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide (PubChem CID 95185907) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
PubChem CID95185907
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
SMILESC[C@@H](NC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H25FN4O2/c1-17(18-5-9-20(25)10-6-18)28-23(30)19-7-11-21(12-8-19)31-24-22(26-13-14-27-24)29-15-3-2-4-16-29/h5-14,17H,2-4,15-16H2,1H3,(H,28,30)/t17-/m1/s1
InChIKeyJWAIHJRDEBLEDQ-QGZVFWFLSA-N
XLogP4.89
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 95185906
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 28636051
N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848119
4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-propylbenzamide
CID 53335585
4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid
CID 45031060
N-(2-methoxyethyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 53335594
1-[3-(4-methylphenoxy)pyrazin-2-yl]-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 50836078
4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide
CID 53335593
N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 43910482
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 95087279
N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 84573352

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide (CID 95185907) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide is C[C@@H](NC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide?
The InChIKey is JWAIHJRDEBLEDQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-17(18-5-9-20(25)10-6-18)28-23(30)19-7-11-21(12-8-19)31-24-22(26-13-14-27-24)29-15-3-2-4-16-29/h5-14,17H,2-4,15-16H2,1H3,(H,28,30)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide has a molecular weight of 420.49 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide is sourced from PubChem (CID 95185907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).