(3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide

C23H23FN4O2 — CID 92897328

IUPAC(3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
SMILESCc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C23H23FN4O2/c1-16-5-2-3-7-20(16)30-23-21(25-12-13-26-23)28-14-4-6-17(15-28)22(29)27-19-10-8-18(24)9-11-19/h2-3,5,7-13,17H,4,6,14-15H2,1H3,(H,27,29)/t17-/m0/s1
InChIKeyGTZMQXHPCCELAP-KRWDZBQOSA-N
MW406.46 g/mol
LogP4.57
Rot. Bonds5

About (3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide

(3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 92897328) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is (3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
PubChem CID92897328
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name(3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
SMILESCc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C23H23FN4O2/c1-16-5-2-3-7-20(16)30-23-21(25-12-13-26-23)28-14-4-6-17(15-28)22(29)27-19-10-8-18(24)9-11-19/h2-3,5,7-13,17H,4,6,14-15H2,1H3,(H,27,29)/t17-/m0/s1
InChIKeyGTZMQXHPCCELAP-KRWDZBQOSA-N
XLogP4.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 95050506
(3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 95050500
(3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92897343
(3R)-N-(4-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050387
ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate
CID 46392484
(3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050515
(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050432
(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 95050445
(3R)-N-(3-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050385
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 50836140
(3S)-N-(4-fluorophenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 92884301
N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 50835943

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (CID 92897328) is (3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide is Cc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
The InChIKey is GTZMQXHPCCELAP-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-16-5-2-3-7-20(16)30-23-21(25-12-13-26-23)28-14-4-6-17(15-28)22(29)27-19-10-8-18(24)9-11-19/h2-3,5,7-13,17H,4,6,14-15H2,1H3,(H,27,29)/t17-/m0/s1.
What are the key properties of (3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
(3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92897328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).